← Back to consensus flow objects
p-Trifluoromethylbenzyl chloride
| Flow Object ID | fo-d35fa4d9f57ee569 | ||||||
|---|---|---|---|---|---|---|---|
| Type | Consensus | ||||||
| prefLabel |
|
||||||
| Alt Labels |
|
||||||
| CAS Numbers | 939-99-1 | ||||||
| Changes Applied | 12 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
MCHDHQVROPEJJT-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C8H6ClF3/c9-5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2
|
| IUPAC name |
1-(chloromethyl)-4-(trifluoromethyl)benzene
|
| Molecular formula |
C8H6ClF3
|
| SMILES |
C1=CC(=CC=C1CCl)C(F)(F)F
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J474.240K
- https://chem.echa.europa.eu/100.155.872
- https://commonchemistry.cas.org/detail?cas_rn=939-99-1
- https://comptox.epa.gov/dashboard/DTXSID20239870
- https://pubchem.ncbi.nlm.nih.gov/compound/123096
- https://www.wikidata.org/wiki/Q72511787
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
172b010b… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 0 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 0 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 0 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Air → Unknown | 0 | 1 |
172b0109… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 0 | 1 |
172b010d… |
EF 3.1 | kg | Environmental → Ground → Unknown | 0 | 1 |
172b010e… |
EF 3.1 | kg | Environmental → Water → Ocean | 0 | 1 |
172b010a… |
EF 3.1 | kg | Environmental → Water → Surface water | 0 | 1 |
172b0110… |
EF 3.1 | kg | Environmental → Water → Unknown | 0 | 1 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
172b0109… |
cas_match_labels |
— |
{"939-99-1":"exactMatch"} |
group_key=para-trifluoromethyl-chloro-benzene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'939-99-1': []}; assigned CAS labels from group consensus; object_uuid=fo-d35fa4d9f57ee569: {'939-99-1': 'exactMatch'} |
172b010a… |
cas_match_labels |
— |
{"939-99-1":"exactMatch"} |
group_key=para-trifluoromethyl-chloro-benzene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'939-99-1': []}; assigned CAS labels from group consensus; object_uuid=fo-d35fa4d9f57ee569: {'939-99-1': 'exactMatch'} |
172b010b… |
cas_match_labels |
— |
{"939-99-1":"exactMatch"} |
group_key=para-trifluoromethyl-chloro-benzene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'939-99-1': []}; assigned CAS labels from group consensus; object_uuid=fo-d35fa4d9f57ee569: {'939-99-1': 'exactMatch'} |
172b010d… |
cas_match_labels |
— |
{"939-99-1":"exactMatch"} |
group_key=para-trifluoromethyl-chloro-benzene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'939-99-1': []}; assigned CAS labels from group consensus; object_uuid=fo-d35fa4d9f57ee569: {'939-99-1': 'exactMatch'} |
172b010e… |
cas_match_labels |
— |
{"939-99-1":"exactMatch"} |
group_key=para-trifluoromethyl-chloro-benzene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'939-99-1': []}; assigned CAS labels from group consensus; object_uuid=fo-d35fa4d9f57ee569: {'939-99-1': 'exactMatch'} |
172b010f… |
cas_match_labels |
— |
{"939-99-1":"exactMatch"} |
group_key=para-trifluoromethyl-chloro-benzene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'939-99-1': []}; assigned CAS labels from group consensus; object_uuid=fo-d35fa4d9f57ee569: {'939-99-1': 'exactMatch'} |
172b0110… |
cas_match_labels |
— |
{"939-99-1":"exactMatch"} |
group_key=para-trifluoromethyl-chloro-benzene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'939-99-1': []}; assigned CAS labels from group consensus; object_uuid=fo-d35fa4d9f57ee569: {'939-99-1': 'exactMatch'} |
172b0111… |
cas_match_labels |
— |
{"939-99-1":"exactMatch"} |
group_key=para-trifluoromethyl-chloro-benzene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'939-99-1': []}; assigned CAS labels from group consensus; object_uuid=fo-d35fa4d9f57ee569: {'939-99-1': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"939-99-1":"exactMatch"} |
group_key=para-trifluoromethyl-chloro-benzene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'939-99-1': []}; assigned CAS labels from group consensus; object_uuid=fo-d35fa4d9f57ee569: {'939-99-1': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"939-99-1":"exactMatch"} |
group_key=para-trifluoromethyl-chloro-benzene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'939-99-1': []}; assigned CAS labels from group consensus; object_uuid=fo-d35fa4d9f57ee569: {'939-99-1': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"939-99-1":"exactMatch"} |
group_key=para-trifluoromethyl-chloro-benzene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'939-99-1': []}; assigned CAS labels from group consensus; object_uuid=fo-d35fa4d9f57ee569: {'939-99-1': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"939-99-1":"exactMatch"} |
group_key=para-trifluoromethyl-chloro-benzene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'939-99-1': []}; assigned CAS labels from group consensus; object_uuid=fo-d35fa4d9f57ee569: {'939-99-1': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-d35fa4d9f57ee569",
"prefLabel": [
{
"@value": "p-Trifluoromethylbenzyl chloride",
"@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": "Para-trifluoromethyl-chloro-benzene",
"@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": [
"C8H6ClF3"
],
"rdfs:label": "Molecular formula",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:123096"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"MCHDHQVROPEJJT-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:123096"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"C1=CC(=CC=C1CCl)C(F)(F)F"
],
"rdfs:label": "SMILES",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:123096"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C8H6ClF3/c9-5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2"
],
"rdfs:label": "InChI",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:123096"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"1-(chloromethyl)-4-(trifluoromethyl)benzene"
],
"rdfs:label": "IUPAC name",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:123096"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J474.240K",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:123096;CAS:939-99-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[939-99-1]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.155.872",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:123096;CAS:939-99-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[939-99-1]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=939-99-1",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"939-99-1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID20239870",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:123096;CAS:939-99-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[939-99-1]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/123096",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:123096;CAS:939-99-1"
],
"prov:wasDerivedFrom": "pubchem.by_cas[939-99-1]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q72511787",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:123096;CAS:939-99-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[939-99-1]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "172b0109-6556-11dd-ad8b-0800200c9a66",
"seed_source": "EF 3.1"
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"939-99-1"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=939-99-1"
],
"skos:exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=939-99-1"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null
}