4-(methylsulfonyl)-2-nitrobenzoic Acid

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4-(methylsulfonyl)-2-nitrobenzoic Acid

UUID 57cd9cb3-dd4b-4c3a-ace7-ae4507b28e9b

Flow Object ID fo-729fd0c86dd5f8f5

Source EF 3.1

Context Environmental → Air → Unknown

CAS Numbers 110964-79-9

EC Numbers 601-017-1

prefLabel

Language	Value	Provenance
`en`	`4-(methylsulfonyl)-2-nitrobenzoic Acid`

altLabel ⓘ

Language	Value	Provenance
`en`	`2-Nitro-4-(methylsulfonyl)benzoic acid`
`en`	`2-Nitro-<em>p</em>-methylsulfonyl benzoic acid`
`en`	`4-Mesyl-2-nitrobenzoic acid`
`en`	`Benzoic acid, 4-(methylsulfonyl)-2-nitro-`

References

Shared Properties

Predicate	Value
InChIKey	`ARMZMLKGTHUCBR-UHFFFAOYSA-N, GWLLOJBOPVNWNF-UHFFFAOYSA-N, QNOUABMNRMROSL-UHFFFAOYSA-N`
InChI	`InChI=1S/C10H8FNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14), InChI=1S/C14H30/c1-7-8-9-10-11-14(5,6)12-13(2,3)4/h7-12H2,1-6H3, InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)`
IUPAC name	`2,2,4,4-tetramethyldecane, 2-(5-fluoranyl-1H-indol-3-yl)ethanoic acid, 2-(5-fluoro-1H-indol-3-yl)acetic acid, 4-mesyl-2-nitro-benzoic acid, 4-methylsulfonyl-2-nitro-benzoic acid, 4-methylsulfonyl-2-nitrobenzoic acid`
Molecular formula	`C10H8FNO2, C14H30, C8H7NO6S`
SMILES	`C1=CC2=C(C=C1F)C(=CN2)CC(=O)O, CCCCCCC(C)(C)CC(C)(C)C, CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-]`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`57cd9cb3-dd4b-4c3a-ace7-ae4507b28e9b`	4-(methylsulfonyl)-2-nitrobenzoic acid

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	4-(methylsulfonyl)-2-nitrobenzoic acid	Emissions/Emissions to air/Emissions to air, unspecified	kg	`exactMatch`	—

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=4-(methylsulfonyl)-2-nitrobenzoicacid\|\|dimension=Environmental > media=Water > water_body=Ocean; cas=110964-79-9; added Common Chemistry CAS names as altLabel: 2-Nitro-4-(methylsulfonyl)benzoic acid, 2-Nitro-<em>p</em>-methylsulfonyl benzoic acid, 4-Mesyl-2-nitrobenzoic acid, Benzoic acid, 4-(methylsulfonyl)-2-nitro-; object_uuid=fo-729fd0c86dd5f8f5
`cas_match_labels`	1	`—`	consensus_match	group_key=4-(methylsulfonyl)-2-nitrobenzoicacid\|\|dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'110964-79-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-729fd0c86dd5f8f5: {'110964-79-9': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '2-Nitro-4-(methylsulfonyl)benzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:110964-79-9', 'https://commonchemistry.cas.org/detail?cas_rn=110964-79-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Nitro-<em>p</em>-methylsulfonyl benzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:110964-79-9', 'https://commonchemistry.cas.org/detail?cas_rn=110964-79-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Mesyl-2-nitrobenzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:110964-79-9', 'https://commonchemistry.cas.org/detail?cas_rn=110964-79-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzoic acid, 4-(methylsulfonyl)-2-nitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:110964-79-9', 'https://commonchemistry.cas.org/detail?cas_rn=110964-79-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=4-(methylsulfonyl)-2-nitrobenzoicacid\|\|dimension=Environmental > media=Water > water_body=Ocean; cas=110964-79-9; added Common Chemistry CAS names as altLabel: 2-Nitro-4-(methylsulfonyl)benzoic acid, 2-Nitro-<em>p</em>-methylsulfonyl benzoic acid, 4-Mesyl-2-nitrobenzoic acid, Benzoic acid, 4-(methylsulfonyl)-2-nitro-; object_uuid=fo-729fd0c86dd5f8f5
`cas_match_labels`	`None`	`{'110964-79-9': 'exactMatch'}`	group_key=4-(methylsulfonyl)-2-nitrobenzoicacid\|\|dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'110964-79-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-729fd0c86dd5f8f5: {'110964-79-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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