← Back to consensus flow objects
3,4-dichlorobenzonitrile
| Flow Object ID | fo-6241f9f0909b1dcb | ||||||
|---|---|---|---|---|---|---|---|
| Type | Consensus | ||||||
| prefLabel |
|
||||||
| Alt Labels |
|
||||||
| CAS Numbers | 6574-99-8 | ||||||
| EC Numbers | 229-494-8 | ||||||
| Changes Applied | 26 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
GVNSSGZFWJZSBJ-UHFFFAOYSA-N, KUWBYWUSERRVQP-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C7H3Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H, InChI=1S/C8H12N2S/c11-6-5-9-7-8-3-1-2-4-10-8/h1-4,9,11H,5-7H2
|
| IUPAC name |
2-(2-pyridinylmethylamino)ethanethiol, 2-(2-pyridylmethylamino)ethanethiol, 2-(pyridin-2-ylmethylamino)ethanethiol, 3,4-bis(chloranyl)benzenecarbonitrile, 3,4-dichlorobenzonitrile
|
| Molecular formula |
C7H3Cl2N, C8H12N2S
|
| SMILES |
C1=CC(=C(C=C1C#N)Cl)Cl, C1=CC=NC(=C1)CNCCS
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J225.195G
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J674.238F
- https://chem.echa.europa.eu/100.026.814
- https://commonchemistry.cas.org/detail?cas_rn=6574-99-8
- https://comptox.epa.gov/dashboard/DTXSID50293460
- https://comptox.epa.gov/dashboard/DTXSID90215944
- https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=89724
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/E3NZ9X3XQZ
- https://pubchem.ncbi.nlm.nih.gov/compound/259626
- https://pubchem.ncbi.nlm.nih.gov/compound/81051
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4552204
- https://www.wikidata.org/wiki/Q72465512
- https://www.wikidata.org/wiki/Q82032196
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
d3f0492f… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 2 | 2 |
bfa70ff1… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
5088219d… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 2 | 2 |
0ea672c2… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 2 | 2 |
10515279… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
b7975f47… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
517fecb8… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 2 | 2 |
20e5c17e… |
EF 3.1 | kg | Environmental → Ground → Unknown | 2 | 2 |
91627d92… |
EF 3.1 | kg | Environmental → Water → Ocean | 2 | 2 |
ac4379a8… |
EF 3.1 | kg | Environmental → Water → Surface water | 2 | 2 |
6c546ddb… |
EF 3.1 | kg | Environmental → Water → Unknown | 2 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
0ea672c2… |
altLabel |
— |
[{"@value":"Benzonitrile, 3,4-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:6574-99-8","https://commonchemistry.cas.org/detail?cas_rn=6574-99-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=6574-99-8; added Common Chemistry CAS names as altLabel: Benzonitrile, 3,4-dichloro-; object_uuid=fo-6241f9f0909b1dcb |
0ea672c2… |
cas_match_labels |
— |
{"6574-99-8":"exactMatch"} |
group_key=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6574-99-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6241f9f0909b1dcb: {'6574-99-8': 'exactMatch'} |
10515279… |
altLabel |
— |
[{"@value":"Benzonitrile, 3,4-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:6574-99-8","https://commonchemistry.cas.org/detail?cas_rn=6574-99-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=6574-99-8; added Common Chemistry CAS names as altLabel: Benzonitrile, 3,4-dichloro-; object_uuid=fo-6241f9f0909b1dcb |
10515279… |
cas_match_labels |
— |
{"6574-99-8":"exactMatch"} |
group_key=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6574-99-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6241f9f0909b1dcb: {'6574-99-8': 'exactMatch'} |
20e5c17e… |
altLabel |
— |
[{"@value":"Benzonitrile, 3,4-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:6574-99-8","https://commonchemistry.cas.org/detail?cas_rn=6574-99-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=6574-99-8; added Common Chemistry CAS names as altLabel: Benzonitrile, 3,4-dichloro-; object_uuid=fo-6241f9f0909b1dcb |
20e5c17e… |
cas_match_labels |
— |
{"6574-99-8":"exactMatch"} |
group_key=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6574-99-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6241f9f0909b1dcb: {'6574-99-8': 'exactMatch'} |
239828e4… |
altLabel |
— |
[{"@value":"Benzonitrile, 3,4-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:6574-99-8","https://commonchemistry.cas.org/detail?cas_rn=6574-99-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=6574-99-8; added Common Chemistry CAS names as altLabel: Benzonitrile, 3,4-dichloro-; object_uuid=fo-6241f9f0909b1dcb |
239828e4… |
cas_match_labels |
— |
{"6574-99-8":"exactMatch"} |
group_key=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6574-99-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6241f9f0909b1dcb: {'6574-99-8': 'exactMatch'} |
5088219d… |
altLabel |
— |
[{"@value":"Benzonitrile, 3,4-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:6574-99-8","https://commonchemistry.cas.org/detail?cas_rn=6574-99-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=6574-99-8; added Common Chemistry CAS names as altLabel: Benzonitrile, 3,4-dichloro-; object_uuid=fo-6241f9f0909b1dcb |
5088219d… |
cas_match_labels |
— |
{"6574-99-8":"exactMatch"} |
group_key=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6574-99-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6241f9f0909b1dcb: {'6574-99-8': 'exactMatch'} |
517fecb8… |
altLabel |
— |
[{"@value":"Benzonitrile, 3,4-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:6574-99-8","https://commonchemistry.cas.org/detail?cas_rn=6574-99-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=6574-99-8; added Common Chemistry CAS names as altLabel: Benzonitrile, 3,4-dichloro-; object_uuid=fo-6241f9f0909b1dcb |
517fecb8… |
cas_match_labels |
— |
{"6574-99-8":"exactMatch"} |
group_key=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6574-99-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6241f9f0909b1dcb: {'6574-99-8': 'exactMatch'} |
6c546ddb… |
altLabel |
— |
[{"@value":"Benzonitrile, 3,4-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:6574-99-8","https://commonchemistry.cas.org/detail?cas_rn=6574-99-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=6574-99-8; added Common Chemistry CAS names as altLabel: Benzonitrile, 3,4-dichloro-; object_uuid=fo-6241f9f0909b1dcb |
6c546ddb… |
cas_match_labels |
— |
{"6574-99-8":"exactMatch"} |
group_key=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6574-99-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6241f9f0909b1dcb: {'6574-99-8': 'exactMatch'} |
91627d92… |
altLabel |
— |
[{"@value":"Benzonitrile, 3,4-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:6574-99-8","https://commonchemistry.cas.org/detail?cas_rn=6574-99-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=6574-99-8; added Common Chemistry CAS names as altLabel: Benzonitrile, 3,4-dichloro-; object_uuid=fo-6241f9f0909b1dcb |
91627d92… |
cas_match_labels |
— |
{"6574-99-8":"exactMatch"} |
group_key=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6574-99-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6241f9f0909b1dcb: {'6574-99-8': 'exactMatch'} |
ac4379a8… |
altLabel |
— |
[{"@value":"Benzonitrile, 3,4-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:6574-99-8","https://commonchemistry.cas.org/detail?cas_rn=6574-99-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=6574-99-8; added Common Chemistry CAS names as altLabel: Benzonitrile, 3,4-dichloro-; object_uuid=fo-6241f9f0909b1dcb |
ac4379a8… |
cas_match_labels |
— |
{"6574-99-8":"exactMatch"} |
group_key=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6574-99-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6241f9f0909b1dcb: {'6574-99-8': 'exactMatch'} |
b7975f47… |
altLabel |
— |
[{"@value":"Benzonitrile, 3,4-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:6574-99-8","https://commonchemistry.cas.org/detail?cas_rn=6574-99-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=6574-99-8; added Common Chemistry CAS names as altLabel: Benzonitrile, 3,4-dichloro-; object_uuid=fo-6241f9f0909b1dcb |
b7975f47… |
cas_match_labels |
— |
{"6574-99-8":"exactMatch"} |
group_key=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6574-99-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6241f9f0909b1dcb: {'6574-99-8': 'exactMatch'} |
bfa70ff1… |
altLabel |
— |
[{"@value":"Benzonitrile, 3,4-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:6574-99-8","https://commonchemistry.cas.org/detail?cas_rn=6574-99-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=6574-99-8; added Common Chemistry CAS names as altLabel: Benzonitrile, 3,4-dichloro-; object_uuid=fo-6241f9f0909b1dcb |
bfa70ff1… |
cas_match_labels |
— |
{"6574-99-8":"exactMatch"} |
group_key=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6574-99-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6241f9f0909b1dcb: {'6574-99-8': 'exactMatch'} |
d3f0492f… |
altLabel |
— |
[{"@value":"Benzonitrile, 3,4-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:6574-99-8","https://commonchemistry.cas.org/detail?cas_rn=6574-99-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=6574-99-8; added Common Chemistry CAS names as altLabel: Benzonitrile, 3,4-dichloro-; object_uuid=fo-6241f9f0909b1dcb |
d3f0492f… |
cas_match_labels |
— |
{"6574-99-8":"exactMatch"} |
group_key=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6574-99-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6241f9f0909b1dcb: {'6574-99-8': 'exactMatch'} |
e0541ebb… |
altLabel |
— |
[{"@value":"Benzonitrile, 3,4-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:6574-99-8","https://commonchemistry.cas.org/detail?cas_rn=6574-99-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=6574-99-8; added Common Chemistry CAS names as altLabel: Benzonitrile, 3,4-dichloro-; object_uuid=fo-6241f9f0909b1dcb |
e0541ebb… |
cas_match_labels |
— |
{"6574-99-8":"exactMatch"} |
group_key=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6574-99-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6241f9f0909b1dcb: {'6574-99-8': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-6241f9f0909b1dcb",
"prefLabel": [
{
"@value": "3,4-dichlorobenzonitrile",
"@language": "en",
"@lang": "en",
"provenance": {
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"EF 3.1"
],
"prov:wasDerivedFrom": "prefLabel"
}
}
],
"altLabel": [
{
"@value": "Benzonitrile, 3,4-dichloro-",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "altLabel"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C7H3Cl2N",
"C8H12N2S"
],
"rdfs:label": "Molecular formula",
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},
"https://w3id.org/chemrof/inchi2d_key_string": {
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"@value": [
"GVNSSGZFWJZSBJ-UHFFFAOYSA-N",
"KUWBYWUSERRVQP-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
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},
"https://w3id.org/chemrof/smiles_string": {
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"@value": [
"C1=CC(=C(C=C1C#N)Cl)Cl",
"C1=CC=NC(=C1)CNCCS"
],
"rdfs:label": "SMILES",
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},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C7H3Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H",
"InChI=1S/C8H12N2S/c11-6-5-9-7-8-3-1-2-4-10-8/h1-4,9,11H,5-7H2"
],
"rdfs:label": "InChI",
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},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"2-(2-pyridinylmethylamino)ethanethiol",
"2-(2-pyridylmethylamino)ethanethiol",
"2-(pyridin-2-ylmethylamino)ethanethiol",
"3,4-bis(chloranyl)benzenecarbonitrile",
"3,4-dichlorobenzonitrile"
],
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{
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