2-amino-4,5-dichlorobenzenesulfonic Acid

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2-amino-4,5-dichlorobenzenesulfonic Acid

UUID fd27ffcb-33de-45ef-9226-ef4271420bbf

Flow Object ID fo-cc04660b4e390923

Source EF 3.1

Context Environmental → Water → Unknown

CAS Numbers 6331-96-0

EC Numbers 700-413-2

prefLabel

Language	Value	Provenance
`en`	`2-amino-4,5-dichlorobenzenesulfonic Acid`

altLabel ⓘ

Language	Value	Provenance
`en`	`2-Amino-4,5-dichlorobenzene-1-sulfonic acid`
`en`	`2-Azaniumyl-4,5-dichlorobenzenesulfonate`
`en`	`3,4-Dichloroaniline-6-sulfonic acid`
`en`	`Benzenesulfonic acid, 2-amino-4,5-dichloro-`
`en`	`NSC 37399`

References

Shared Properties

Predicate	Value
InChIKey	`AKLDPNVZTZIVFA-UHFFFAOYSA-N, NCWLFDVJMHWARU-UHFFFAOYSA-N, PBTYFGJBXNRMTH-UHFFFAOYSA-N`
InChI	`InChI=1S/C21H28O7/c1-4-26-18(23)14-10-13-17(22)21(19(24)27-5-2,20(25)28-6-3)15-16-11-8-7-9-12-16/h7-9,11-12H,4-6,10,13-15H2,1-3H3, InChI=1S/C22H16ClN3O2S/c1-13-9-10-19-18(11-13)25-21(28-19)14-5-4-6-15(12-14)24-22(29)26-20(27)16-7-2-3-8-17(16)23/h2-12H,1H3,(H2,24,26,27,29), InChI=1S/C6H5Cl2NO3S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H,9H2,(H,10,11,12)`
IUPAC name	1-benzyl-2-keto-pentane-1,1,5-tricarboxylic acid triethyl ester, 2-amino-4,5-dichloro-benzenesulfonic acid, 2-amino-4,5-dichloro-besylic acid, 2-amino-4,5-dichlorobenzenesulfonic acid, 2-azanyl-4,5-bis(chloranyl)benzenesulfonic acid, 2-chloranyl-N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide, 2-chloro-N-[[3-(5-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]benzamide, 2-chloro-N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide, 2-chloro-N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzamide, 2-oxo-1-(phenylmethyl)pentane-1,1,5-tricarboxylic acid triethyl ester, triethyl 1-benzyl-2-oxo-pentane-1,1,5-tricarboxylate, triethyl 1-benzyl-2-oxopentane-1,1,5-tricarboxylate, triethyl 2-oxidanylidene-1-(phenylmethyl)pentane-1,1,5-tricarboxylate
Molecular formula	`C21H28O7, C22H16ClN3O2S, C6H5Cl2NO3S`
SMILES	`C1=C(C(=CC(=C1Cl)Cl)S(=O)(=O)O)N, CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=CC=C4Cl, CCOC(=O)CCCC(=O)C(CC1=CC=CC=C1)(C(=O)OCC)C(=O)OCC`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`fd27ffcb-33de-45ef-9226-ef4271420bbf`	2-amino-4,5-dichlorobenzenesulfonic acid

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	2-amino-4,5-dichlorobenzenesulfonic acid	Emissions/Emissions to water/Emissions to water, 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=2-amino-4,5-dichlorobenzenesulfonicacid\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=6331-96-0; added Common Chemistry CAS names as altLabel: 2-Amino-4,5-dichlorobenzene-1-sulfonic acid, 2-Azaniumyl-4,5-dichlorobenzenesulfonate, 3,4-Dichloroaniline-6-sulfonic acid, Benzenesulfonic acid, 2-amino-4,5-dichloro-, NSC 37399; object_uuid=fo-cc04660b4e390923
`cas_match_labels`	1	`—`	consensus_match	group_key=2-amino-4,5-dichlorobenzenesulfonicacid\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'6331-96-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cc04660b4e390923: {'6331-96-0': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '2-Amino-4,5-dichlorobenzene-1-sulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6331-96-0', 'https://commonchemistry.cas.org/detail?cas_rn=6331-96-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Azaniumyl-4,5-dichlorobenzenesulfonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6331-96-0', 'https://commonchemistry.cas.org/detail?cas_rn=6331-96-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,4-Dichloroaniline-6-sulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6331-96-0', 'https://commonchemistry.cas.org/detail?cas_rn=6331-96-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenesulfonic acid, 2-amino-4,5-dichloro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6331-96-0', 'https://commonchemistry.cas.org/detail?cas_rn=6331-96-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 37399', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6331-96-0', 'https://commonchemistry.cas.org/detail?cas_rn=6331-96-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=2-amino-4,5-dichlorobenzenesulfonicacid\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=6331-96-0; added Common Chemistry CAS names as altLabel: 2-Amino-4,5-dichlorobenzene-1-sulfonic acid, 2-Azaniumyl-4,5-dichlorobenzenesulfonate, 3,4-Dichloroaniline-6-sulfonic acid, Benzenesulfonic acid, 2-amino-4,5-dichloro-, NSC 37399; object_uuid=fo-cc04660b4e390923
`cas_match_labels`	`None`	`{'6331-96-0': 'exactMatch'}`	group_key=2-amino-4,5-dichlorobenzenesulfonicacid\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'6331-96-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cc04660b4e390923: {'6331-96-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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