← Back to consensus flow objects
2,4-dichlorodiphenyl Ether
| Flow Object ID | fo-91f6cdff6b15f1ca | ||||
|---|---|---|---|---|---|
| Type | Consensus | ||||
| prefLabel |
|
||||
| CAS Numbers | 51892-26-3 | ||||
| Changes Applied | 13 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
FTCYIGBVOHNHCD-UHFFFAOYSA-N, KXIPYLZZJZMMPD-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C12H8Cl2O/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8H, InChI=1S/C7H11N3/c1-6(2)10-7-8-4-3-5-9-7/h3-6H,1-2H3,(H,8,9,10)
|
| IUPAC name |
2,4-bis(chloranyl)-1-phenoxy-benzene, 2,4-dichloro-1-phenoxy-benzene, 2,4-dichloro-1-phenoxybenzene, N-isopropylpyrimidin-2-amine, N-propan-2-yl-2-pyrimidinamine, N-propan-2-ylpyrimidin-2-amine, isopropyl(2-pyrimidyl)amine
|
| Molecular formula |
C12H8Cl2O, C7H11N3
|
| SMILES |
C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl, CC(C)NC1=NC=CC=N1
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.620B
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J99.852D
- https://commonchemistry.cas.org/detail?cas_rn=4214-72-6
- https://commonchemistry.cas.org/detail?cas_rn=51892-26-3
- https://comptox.epa.gov/dashboard/DTXSID00199847
- https://comptox.epa.gov/dashboard/DTXSID20194975
- https://drugcentral.org/drugcard/1485
- https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=760406
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/49V3OO5743
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/883G6DMT63
- https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C65969
- https://pubchem.ncbi.nlm.nih.gov/compound/71169
- https://pubchem.ncbi.nlm.nih.gov/compound/92339
- https://www.drugbank.ca/drugs/DB20311
- https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:134762
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1740513
- https://www.wikidata.org/wiki/Q27259310
- https://www.wikidata.org/wiki/Q27269878
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
5323a105… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 2 | 1 |
a29f3210… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 1 |
645ba952… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 2 | 1 |
52f45a17… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 2 | 1 |
2d6e8d51… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 1 |
dd9dd036… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 1 |
ffb9e335… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 2 | 1 |
067ef639… |
EF 3.1 | kg | Environmental → Ground → Unknown | 2 | 1 |
005a12a6… |
EF 3.1 | kg | Environmental → Water → Ocean | 2 | 1 |
b403b6a1… |
EF 3.1 | kg | Environmental → Water → Surface water | 2 | 1 |
dfc2e485… |
EF 3.1 | kg | Environmental → Water → Unknown | 2 | 1 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
005a12a6… |
cas_match_labels |
— |
{"51892-26-3":"exactMatch"} |
group_key=2,4-dichlorodiphenylether||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'51892-26-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-91f6cdff6b15f1ca: {'51892-26-3': 'exactMatch'} |
067ef639… |
cas_match_labels |
— |
{"51892-26-3":"exactMatch"} |
group_key=2,4-dichlorodiphenylether||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'51892-26-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-91f6cdff6b15f1ca: {'51892-26-3': 'exactMatch'} |
0f3235d5… |
cas_match_labels |
— |
{"51892-26-3":"exactMatch"} |
group_key=2,4-dichlorodiphenylether||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'51892-26-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-91f6cdff6b15f1ca: {'51892-26-3': 'exactMatch'} |
2d6e8d51… |
cas_match_labels |
— |
{"51892-26-3":"exactMatch"} |
group_key=2,4-dichlorodiphenylether||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'51892-26-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-91f6cdff6b15f1ca: {'51892-26-3': 'exactMatch'} |
52f45a17… |
cas_match_labels |
— |
{"51892-26-3":"exactMatch"} |
group_key=2,4-dichlorodiphenylether||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'51892-26-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-91f6cdff6b15f1ca: {'51892-26-3': 'exactMatch'} |
5323a105… |
cas_match_labels |
— |
{"51892-26-3":"exactMatch"} |
group_key=2,4-dichlorodiphenylether||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'51892-26-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-91f6cdff6b15f1ca: {'51892-26-3': 'exactMatch'} |
645ba952… |
cas_match_labels |
— |
{"51892-26-3":"exactMatch"} |
group_key=2,4-dichlorodiphenylether||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'51892-26-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-91f6cdff6b15f1ca: {'51892-26-3': 'exactMatch'} |
a29f3210… |
cas_match_labels |
— |
{"51892-26-3":"exactMatch"} |
group_key=2,4-dichlorodiphenylether||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'51892-26-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-91f6cdff6b15f1ca: {'51892-26-3': 'exactMatch'} |
b403b6a1… |
cas_match_labels |
— |
{"51892-26-3":"exactMatch"} |
group_key=2,4-dichlorodiphenylether||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'51892-26-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-91f6cdff6b15f1ca: {'51892-26-3': 'exactMatch'} |
bcb0925a… |
cas_match_labels |
— |
{"51892-26-3":"exactMatch"} |
group_key=2,4-dichlorodiphenylether||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'51892-26-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-91f6cdff6b15f1ca: {'51892-26-3': 'exactMatch'} |
dd9dd036… |
cas_match_labels |
— |
{"51892-26-3":"exactMatch"} |
group_key=2,4-dichlorodiphenylether||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'51892-26-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-91f6cdff6b15f1ca: {'51892-26-3': 'exactMatch'} |
dfc2e485… |
cas_match_labels |
— |
{"51892-26-3":"exactMatch"} |
group_key=2,4-dichlorodiphenylether||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'51892-26-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-91f6cdff6b15f1ca: {'51892-26-3': 'exactMatch'} |
ffb9e335… |
cas_match_labels |
— |
{"51892-26-3":"exactMatch"} |
group_key=2,4-dichlorodiphenylether||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'51892-26-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-91f6cdff6b15f1ca: {'51892-26-3': 'exactMatch'} |
Flow Object JSON
{
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"InChI=1S/C7H11N3/c1-6(2)10-7-8-4-3-5-9-7/h3-6H,1-2H3,(H,8,9,10)"
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"2,4-dichloro-1-phenoxy-benzene",
"2,4-dichloro-1-phenoxybenzene",
"N-isopropylpyrimidin-2-amine",
"N-propan-2-yl-2-pyrimidinamine",
"N-propan-2-ylpyrimidin-2-amine",
"isopropyl(2-pyrimidyl)amine"
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