← Back to consensus flow objects
4,6-dichloropyrimidine
| Flow Object ID | fo-6a453f5cee661085 | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Type | Consensus | |||||||||
| prefLabel |
|
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| Alt Labels |
|
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| CAS Numbers | 1193-21-1 | |||||||||
| EC Numbers | 214-770-2 | |||||||||
| Changes Applied | 26 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
FYNNVDQGEDRVRA-UHFFFAOYSA-N, XJPZKYIHCLDXST-UHFFFAOYSA-N, ZMZWEVVWKCLHFX-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C12H12N2O3/c1-3-10-13-11(14-17-10)8-5-4-6-9(7-8)12(15)16-2/h4-7H,3H2,1-2H3, InChI=1S/C17H16O3/c1-5-9-18-15-11-13-7-8-17(3,4)20-14(13)12-16(15)19-10-6-2/h1-2,7-8,11-12H,9-10H2,3-4H3, InChI=1S/C4H2Cl2N2/c5-3-1-4(6)8-2-7-3/h1-2H
|
| IUPAC name |
2,2-dimethyl-6,7-bis(prop-2-ynoxy)-1-benzopyran, 2,2-dimethyl-6,7-bis(prop-2-ynoxy)chromene, 2,2-dimethyl-6,7-dipropargyloxy-chromene, 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoic acid methyl ester, 4,6-bis(chloranyl)pyrimidine, 4,6-dichloropyrimidine, methyl 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoate
|
| Molecular formula |
C12H12N2O3, C17H16O3, C4H2Cl2N2
|
| SMILES |
C1=C(N=CN=C1Cl)Cl, CC1(C=CC2=CC(=C(C=C2O1)OCC#C)OCC#C)C, CCC1=NC(=NO1)C2=CC(=CC=C2)C(=O)OC
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J865F
- https://chem.echa.europa.eu/100.013.428
- https://commonchemistry.cas.org/detail?cas_rn=1193-21-1
- https://comptox.epa.gov/dashboard/DTXSID10152403
- https://comptox.epa.gov/dashboard/DTXSID60911128
- https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=37530
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/TTE9SA8H44
- https://pubchem.ncbi.nlm.nih.gov/compound/184071
- https://pubchem.ncbi.nlm.nih.gov/compound/53429638
- https://pubchem.ncbi.nlm.nih.gov/compound/70943
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1992013
- https://www.wikidata.org/wiki/Q72468052
- https://www.wikidata.org/wiki/Q82881200
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
216c44cd… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 2 | 2 |
5b1a278a… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
0f74db62… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 2 | 2 |
87388685… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 2 | 2 |
4c084d15… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
91a64b6e… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
0548c99c… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 2 | 2 |
44a1c935… |
EF 3.1 | kg | Environmental → Ground → Unknown | 2 | 2 |
3bbaeef1… |
EF 3.1 | kg | Environmental → Water → Ocean | 2 | 2 |
09417c57… |
EF 3.1 | kg | Environmental → Water → Surface water | 2 | 2 |
90146d1d… |
EF 3.1 | kg | Environmental → Water → Unknown | 2 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
0548c99c… |
altLabel |
— |
[{"@value":"NSC 37530","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrimidine, 4,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; cas=1193-21-1; added Common Chemistry CAS names as altLabel: NSC 37530, Pyrimidine, 4,6-dichloro-; object_uuid=fo-6a453f5cee661085 |
0548c99c… |
cas_match_labels |
— |
{"1193-21-1":"exactMatch"} |
group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1193-21-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a453f5cee661085: {'1193-21-1': 'exactMatch'} |
09417c57… |
altLabel |
— |
[{"@value":"NSC 37530","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrimidine, 4,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; cas=1193-21-1; added Common Chemistry CAS names as altLabel: NSC 37530, Pyrimidine, 4,6-dichloro-; object_uuid=fo-6a453f5cee661085 |
09417c57… |
cas_match_labels |
— |
{"1193-21-1":"exactMatch"} |
group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1193-21-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a453f5cee661085: {'1193-21-1': 'exactMatch'} |
0f74db62… |
altLabel |
— |
[{"@value":"NSC 37530","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrimidine, 4,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; cas=1193-21-1; added Common Chemistry CAS names as altLabel: NSC 37530, Pyrimidine, 4,6-dichloro-; object_uuid=fo-6a453f5cee661085 |
0f74db62… |
cas_match_labels |
— |
{"1193-21-1":"exactMatch"} |
group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1193-21-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a453f5cee661085: {'1193-21-1': 'exactMatch'} |
216c44cd… |
altLabel |
— |
[{"@value":"NSC 37530","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrimidine, 4,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; cas=1193-21-1; added Common Chemistry CAS names as altLabel: NSC 37530, Pyrimidine, 4,6-dichloro-; object_uuid=fo-6a453f5cee661085 |
216c44cd… |
cas_match_labels |
— |
{"1193-21-1":"exactMatch"} |
group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1193-21-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a453f5cee661085: {'1193-21-1': 'exactMatch'} |
3bbaeef1… |
altLabel |
— |
[{"@value":"NSC 37530","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrimidine, 4,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; cas=1193-21-1; added Common Chemistry CAS names as altLabel: NSC 37530, Pyrimidine, 4,6-dichloro-; object_uuid=fo-6a453f5cee661085 |
3bbaeef1… |
cas_match_labels |
— |
{"1193-21-1":"exactMatch"} |
group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1193-21-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a453f5cee661085: {'1193-21-1': 'exactMatch'} |
44a1c935… |
altLabel |
— |
[{"@value":"NSC 37530","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrimidine, 4,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; cas=1193-21-1; added Common Chemistry CAS names as altLabel: NSC 37530, Pyrimidine, 4,6-dichloro-; object_uuid=fo-6a453f5cee661085 |
44a1c935… |
cas_match_labels |
— |
{"1193-21-1":"exactMatch"} |
group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1193-21-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a453f5cee661085: {'1193-21-1': 'exactMatch'} |
4c084d15… |
altLabel |
— |
[{"@value":"NSC 37530","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrimidine, 4,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; cas=1193-21-1; added Common Chemistry CAS names as altLabel: NSC 37530, Pyrimidine, 4,6-dichloro-; object_uuid=fo-6a453f5cee661085 |
4c084d15… |
cas_match_labels |
— |
{"1193-21-1":"exactMatch"} |
group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1193-21-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a453f5cee661085: {'1193-21-1': 'exactMatch'} |
5b1a278a… |
altLabel |
— |
[{"@value":"NSC 37530","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrimidine, 4,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; cas=1193-21-1; added Common Chemistry CAS names as altLabel: NSC 37530, Pyrimidine, 4,6-dichloro-; object_uuid=fo-6a453f5cee661085 |
5b1a278a… |
cas_match_labels |
— |
{"1193-21-1":"exactMatch"} |
group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1193-21-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a453f5cee661085: {'1193-21-1': 'exactMatch'} |
87388685… |
altLabel |
— |
[{"@value":"NSC 37530","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrimidine, 4,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; cas=1193-21-1; added Common Chemistry CAS names as altLabel: NSC 37530, Pyrimidine, 4,6-dichloro-; object_uuid=fo-6a453f5cee661085 |
87388685… |
cas_match_labels |
— |
{"1193-21-1":"exactMatch"} |
group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1193-21-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a453f5cee661085: {'1193-21-1': 'exactMatch'} |
90146d1d… |
altLabel |
— |
[{"@value":"NSC 37530","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrimidine, 4,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; cas=1193-21-1; added Common Chemistry CAS names as altLabel: NSC 37530, Pyrimidine, 4,6-dichloro-; object_uuid=fo-6a453f5cee661085 |
90146d1d… |
cas_match_labels |
— |
{"1193-21-1":"exactMatch"} |
group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1193-21-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a453f5cee661085: {'1193-21-1': 'exactMatch'} |
91a64b6e… |
altLabel |
— |
[{"@value":"NSC 37530","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrimidine, 4,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; cas=1193-21-1; added Common Chemistry CAS names as altLabel: NSC 37530, Pyrimidine, 4,6-dichloro-; object_uuid=fo-6a453f5cee661085 |
91a64b6e… |
cas_match_labels |
— |
{"1193-21-1":"exactMatch"} |
group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1193-21-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a453f5cee661085: {'1193-21-1': 'exactMatch'} |
bf129f9b… |
altLabel |
— |
[{"@value":"NSC 37530","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrimidine, 4,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; cas=1193-21-1; added Common Chemistry CAS names as altLabel: NSC 37530, Pyrimidine, 4,6-dichloro-; object_uuid=fo-6a453f5cee661085 |
bf129f9b… |
cas_match_labels |
— |
{"1193-21-1":"exactMatch"} |
group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1193-21-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a453f5cee661085: {'1193-21-1': 'exactMatch'} |
f5025979… |
altLabel |
— |
[{"@value":"NSC 37530","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrimidine, 4,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; cas=1193-21-1; added Common Chemistry CAS names as altLabel: NSC 37530, Pyrimidine, 4,6-dichloro-; object_uuid=fo-6a453f5cee661085 |
f5025979… |
cas_match_labels |
— |
{"1193-21-1":"exactMatch"} |
group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1193-21-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a453f5cee661085: {'1193-21-1': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-6a453f5cee661085",
"prefLabel": [
{
"@value": "4,6-dichloropyrimidine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "prefLabel"
}
}
],
"altLabel": [
{
"@value": "NSC 37530",
"@language": "en",
"@lang": "en",
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "altLabel"
}
},
{
"@value": "Pyrimidine, 4,6-dichloro-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "altLabel"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C12H12N2O3",
"C17H16O3",
"C4H2Cl2N2"
],
"rdfs:label": "Molecular formula",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:70943",
"CID:184071",
"CID:53429638"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"FYNNVDQGEDRVRA-UHFFFAOYSA-N",
"XJPZKYIHCLDXST-UHFFFAOYSA-N",
"ZMZWEVVWKCLHFX-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
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"prov:hadPrimarySource": [
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"prov:wasDerivedFrom": "pubchem.props.InChIKey"
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},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
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