Benzenesulfonic acid, 2-amino-5-[(4-nitrophenyl)amino]-
Basic information
- CAS
6470-52-6- Standard SMILES
Nc1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)O- InChIKey
CMMPSUASJUXJCV-UHFFFAOYSA-N- Molecular formula
- C12H11N3O5S
- Average molar mass
- 309.3 g/mol
- Monoisotopic mass
- 309.04194163
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 2-amino-5-[(4-nitrophenyl)amino]-
- IUPAC
- 2-amino-5-(4-nitroanilino)benzenesulfonic acid
- English name
- 2-amino-5-(4-nitroanilino)benzenesulfonic acid
- Molecular formula
- C12H11N3O5S
- Molecular weight
- 309.3
Names & synonyms
Benzenesulfonic acid, 2-amino-5-((4-nitrophenyl)amino)-Benzenesulfonic acid, 2-amino-5-[(4-nitrophenyl)amino]-DTXSID1064378RefChem:564184DTXCID90443706470-52-62-amino-5-(4-nitroanilino)benzenesulfonic acidSCHEMBL10703629CMMPSUASJUXJCV-UHFFFAOYSA-N2-Amino-5-(4-nitroanilino)benzene-1-sulfonic acid2-Amino-5-[(4-nitrophenyl)amino]benzenesulfonic acid
Database identifiers
- CAS
6470-52-6- PubChem CID
- 5483440
- DTXSID
DTXSID1064378- Nikkaji
- J421.820E
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 464
Physicochemical properties
- EPA Substance Registry System
- 2 · Benzenesulfonic acid, 2-amino-5-[(4-nitrophenyl)amino]- (6470-52-6)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 2-amino-5-[(4-nitrophenyl)amino]-: INACTIVE
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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