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2-chloro-6-nitrotoluene

UUID 7f5f25e9-05ce-4b6f-98ae-af239433a433
Deprecated yes
Replaced By efaca62e-1c20-4e68-b3bf-5563c5c7525c
Flow Object IDfo-8d665ba6b21217f9
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 83-42-1
EC Numbers 201-475-9
prefLabel
Language Value Provenance
en 2-chloro-6-nitrotoluene
altLabel
Language Value Provenance
en 1-chloro-2-methyl-3-nitrobenzene
en 3-chloro-2-methylnitrobenzene
en 6,2-chloronitrotoluene
en 6-chloro-2-nitrotoluene
en 2-Methyl-3-chloronitrobenzene
en 2-Methyl-3-nitrochlorobenzene
en 3-Chloro-2-methyl-1-nitrobenzene
en Benzene, 1-chloro-2-methyl-3-nitro-
en NSC 49147
en Toluene, 2-chloro-6-nitro-
Definitions
Language Value Provenance
en A nitrotoluene that is toluene in which the hydrogens ortho- to the methyl group have been replaced by a chlorine and a nitro group. A low-melting (37 °C) solid.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey XCSNRORTQRKCHB-UHFFFAOYSA-N
InChI InChI=1S/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3
IUPAC name 1-chloranyl-2-methyl-3-nitro-benzene, 1-chloro-2-methyl-3-nitro-benzene, 1-chloro-2-methyl-3-nitrobenzene
Molecular formula C7H6ClNO2
Molecular mass 171.583
Monoisotopic mass 171.00871
SMILES CC1=C(C=CC=C1Cl)[N+](=O)[O-], Cc1c(Cl)cccc1[N+](=O)[O-]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 7f5f25e9-05ce-4b6f-98ae-af239433a433 2-chloro-6-nitrotoluene

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=2-chloro-6-nitrotoluene||dimension=Environmental > media=Water > water_body=Ocean; cas=83-42-1; added Common Chemistry CAS names as altLabel: 2-Methyl-3-chloronitrobenzene, 2-Methyl-3-nitrochlorobenzene, 3-Chloro-2-methyl-1-nitrobenzene, Benzene, 1-chloro-2-methyl-3-nitro-, NSC 49147, Toluene, 2-chloro-6-nitro-; object_uuid=fo-8d665ba6b21217f9
cas_match_labels 1 consensus_match group_key=2-chloro-6-nitrotoluene||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'83-42-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8d665ba6b21217f9: {'83-42-1': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '1-chloro-2-methyl-3-nitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-chloro-2-methyl-3-nitrobenzene', 'http://purl.obolibrary.org/obo/CHEBI_142281', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-chloro-2-methylnitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-chloro-2-methylnitrobenzene', 'http://purl.obolibrary.org/obo/CHEBI_142281', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '6,2-chloronitrotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:6,2-chloronitrotoluene', 'http://purl.obolibrary.org/obo/CHEBI_142281', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '6-chloro-2-nitrotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:6-chloro-2-nitrotoluene', 'http://purl.obolibrary.org/obo/CHEBI_142281', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '1-chloro-2-methyl-3-nitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-chloro-2-methyl-3-nitrobenzene', 'http://purl.obolibrary.org/obo/CHEBI_142281', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-chloro-2-methylnitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-chloro-2-methylnitrobenzene', 'http://purl.obolibrary.org/obo/CHEBI_142281', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '6,2-chloronitrotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:6,2-chloronitrotoluene', 'http://purl.obolibrary.org/obo/CHEBI_142281', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '6-chloro-2-nitrotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:6-chloro-2-nitrotoluene', 'http://purl.obolibrary.org/obo/CHEBI_142281', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Methyl-3-chloronitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83-42-1', 'https://commonchemistry.cas.org/detail?cas_rn=83-42-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Methyl-3-nitrochlorobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83-42-1', 'https://commonchemistry.cas.org/detail?cas_rn=83-42-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Chloro-2-methyl-1-nitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83-42-1', 'https://commonchemistry.cas.org/detail?cas_rn=83-42-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzene, 1-chloro-2-methyl-3-nitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83-42-1', 'https://commonchemistry.cas.org/detail?cas_rn=83-42-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 49147', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83-42-1', 'https://commonchemistry.cas.org/detail?cas_rn=83-42-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Toluene, 2-chloro-6-nitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83-42-1', 'https://commonchemistry.cas.org/detail?cas_rn=83-42-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2-chloro-6-nitrotoluene||dimension=Environmental > media=Water > water_body=Ocean; cas=83-42-1; added Common Chemistry CAS names as altLabel: 2-Methyl-3-chloronitrobenzene, 2-Methyl-3-nitrochlorobenzene, 3-Chloro-2-methyl-1-nitrobenzene, Benzene, 1-chloro-2-methyl-3-nitro-, NSC 49147, Toluene, 2-chloro-6-nitro-; object_uuid=fo-8d665ba6b21217f9
cas_match_labels None {'83-42-1': 'exactMatch'} group_key=2-chloro-6-nitrotoluene||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'83-42-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8d665ba6b21217f9: {'83-42-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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