Benzenesulfonamide, 3-nitro-4-(phenylamino)-
Basic information
- CAS
12223-84-6- Standard SMILES
NS(=O)(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1- InChIKey
JNMYHXDAWVTDMS-UHFFFAOYSA-N- Molecular formula
- C12H11N3O4S
- Average molar mass
- 293.3 g/mol
- Monoisotopic mass
- 293.04702701
Names & identifiers
- Preferred name
- Benzenesulfonamide, 3-nitro-4-(phenylamino)-
- IUPAC
- 4-anilino-3-nitrobenzenesulfonamide
- English name
- 4-anilino-3-nitrobenzenesulphonamide
- Molecular formula
- C12H11N3O4S
- Molecular weight
- 293.3
Names & synonyms
12223-84-6Benzenesulfonamide, 3-nitro-4-(phenylamino)-3-Nitro-4-(phenylamino)benzenesulfonamideEINECS 235-420-5NSC 15358DTXSID5065275RefChem:117720DTXCID60337484-anilino-3-nitrobenzenesulfonamide4-Anilino-3-nitrobenzenesulphonamideSulfanilamide, 3-nitro-N4-phenyl-MLS000737781
Show more names
C.I. Disperse Yellow 33C.I.Disperse Yellow 33:C.I.103374-Anilino-3-nitrobenzolsulfonamid3-Nitro-4-(phenylaMino)-benzenesulfonaMide(Disperse Yellow 33)
29FVD4625FNSC-15358NSC15358UNII-29FVD4625FSCHEMBL9487112CHEMBL1472378SCHEMBL29699504HMS2882L09
Database identifiers
- CAS
12223-84-6- PubChem CID
- 82980
- DTXSID
DTXSID5065275- ChEMBL
CHEMBL1472378- UNII
- 29FVD4625F
- EC Number
- 235-420-5
- Nikkaji
- J332.519I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 437
Physicochemical properties
- Melting point
- 178 · 178-180 °C
- Boiling point
- 499 · 499.0±55.0 °C(Predicted)
- Density
- 1.494 · 1.494±0.06 g/cm3(Predicted)
- pka
- 9.53 · 9.53±0.60(Predicted)
- FDA UNII
- 29 FVD4625F · 29FVD4625F
- EPA Substance Registry System
- 3 · Benzenesulfonamide, 3-nitro-4-(phenylamino)- (12223-84-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory InformationChemical: Benzenesulfonamide, 3-nitro-4-(phenylamino)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonamide, 3-nitro-4-(phenylamino)-: INACTIVE
Preparation methods
Preparation4-Chloro-3-nitrobenzenesulfonamidecondensation of aniline
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
2 records
Compound notes
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