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Benzotrichloride

2D structure
UUID 4d9a8790-3ddd-11dd-9d7f-0050c2490048
Deprecated yes
Replaced By 4d9a8790-3ddd-11dd-9d80-0050c2490048
Flow Object IDfo-957d3db16b5d68d6
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 98-07-7
EC Numbers 202-634-5
prefLabel
Language Value Provenance
en Benzotrichloride
altLabel ⓘ
Language Value Provenance
en (trichloromethyl)benzene
en 1-(trichloromethyl)benzene
en alpha,alpha,alpha-trichlorotoluene
en phenylchloroform
en Benzene, (trichloromethyl)-
en Benzenyl chloride
en Benzenyl trichloride
en Benzyl trichloride
en Benzylidyne chloride
en NSC 14663
en Phenyltrichloromethane
en Toluene trichloride
en Toluene, α,α,α-trichloro-
en Trichlorophenylmethane
en α,α,α-Trichlorotoluene
en ω,ω,ω-Trichlorotoluene
Definitions
Language Value Provenance
en An organochlorine compound that is toluene in which all three hydrogens of the methyl group have been replaced by chlorines. It is used as an intermediate in organic synthesis and dye chemistry.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey XEMRAKSQROQPBR-UHFFFAOYSA-N
InChI InChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
IUPAC name trichloromethylbenzene
Molecular formula C7H5Cl3
Molecular mass 195.476
Monoisotopic mass 193.94568, 193.945683
SMILES C1=CC=C(C=C1)C(Cl)(Cl)Cl, ClC(Cl)(Cl)c1ccccc1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 4d9a8790-3ddd-11dd-9d7f-0050c2490048 benzotrichloride

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=benzotrichloride||dimension=Environmental > media=Air > indoor=Unknown; cas=98-07-7; added Common Chemistry CAS names as altLabel: Benzene, (trichloromethyl)-, Benzenyl chloride, Benzenyl trichloride, Benzyl trichloride, Benzylidyne chloride, NSC 14663, Phenyltrichloromethane, Toluene trichloride, Toluene, α,α,α-trichloro-, Trichlorophenylmethane, α,α,α-Trichlorotoluene, ω,ω,ω-Trichlorotoluene; object_uuid=fo-957d3db16b5d68d6
cas_match_labels 1 — consensus_match group_key=benzotrichloride||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'98-07-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-957d3db16b5d68d6: {'98-07-7': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '(trichloromethyl)benzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(trichloromethyl)benzene', 'http://purl.obolibrary.org/obo/CHEBI_82274', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-(trichloromethyl)benzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-(trichloromethyl)benzene', 'http://purl.obolibrary.org/obo/CHEBI_82274', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha,alpha,alpha-trichlorotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha,alpha,alpha-trichlorotoluene', 'http://purl.obolibrary.org/obo/CHEBI_82274', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'phenylchloroform', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:phenylchloroform', 'http://purl.obolibrary.org/obo/CHEBI_82274', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(trichloromethyl)benzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(trichloromethyl)benzene', 'http://purl.obolibrary.org/obo/CHEBI_82274', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-(trichloromethyl)benzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-(trichloromethyl)benzene', 'http://purl.obolibrary.org/obo/CHEBI_82274', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha,alpha,alpha-trichlorotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha,alpha,alpha-trichlorotoluene', 'http://purl.obolibrary.org/obo/CHEBI_82274', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'phenylchloroform', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:phenylchloroform', 'http://purl.obolibrary.org/obo/CHEBI_82274', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Benzene, (trichloromethyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-07-7', 'https://commonchemistry.cas.org/detail?cas_rn=98-07-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-07-7', 'https://commonchemistry.cas.org/detail?cas_rn=98-07-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenyl trichloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-07-7', 'https://commonchemistry.cas.org/detail?cas_rn=98-07-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzyl trichloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-07-7', 'https://commonchemistry.cas.org/detail?cas_rn=98-07-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzylidyne chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-07-7', 'https://commonchemistry.cas.org/detail?cas_rn=98-07-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 14663', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-07-7', 'https://commonchemistry.cas.org/detail?cas_rn=98-07-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phenyltrichloromethane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-07-7', 'https://commonchemistry.cas.org/detail?cas_rn=98-07-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Toluene trichloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-07-7', 'https://commonchemistry.cas.org/detail?cas_rn=98-07-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Toluene, α,α,α-trichloro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-07-7', 'https://commonchemistry.cas.org/detail?cas_rn=98-07-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Trichlorophenylmethane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-07-7', 'https://commonchemistry.cas.org/detail?cas_rn=98-07-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α,α,α-Trichlorotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-07-7', 'https://commonchemistry.cas.org/detail?cas_rn=98-07-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'ω,ω,ω-Trichlorotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-07-7', 'https://commonchemistry.cas.org/detail?cas_rn=98-07-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=benzotrichloride||dimension=Environmental > media=Air > indoor=Unknown; cas=98-07-7; added Common Chemistry CAS names as altLabel: Benzene, (trichloromethyl)-, Benzenyl chloride, Benzenyl trichloride, Benzyl trichloride, Benzylidyne chloride, NSC 14663, Phenyltrichloromethane, Toluene trichloride, Toluene, α,α,α-trichloro-, Trichlorophenylmethane, α,α,α-Trichlorotoluene, ω,ω,ω-Trichlorotoluene; object_uuid=fo-957d3db16b5d68d6
cas_match_labels None {'98-07-7': 'exactMatch'} group_key=benzotrichloride||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'98-07-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-957d3db16b5d68d6: {'98-07-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "unit": "kg",
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