Basic information
- CAS
24311-40-8- Standard SMILES
Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)O- InChIKey
YMJXNYUOEJPKHH-UHFFFAOYSA-N- Molecular formula
- C6H6N2O5S
- Average molar mass
- 218.19 g/mol
- Monoisotopic mass
- 217.99974229
Names & identifiers
- Preferred name
- 2-Amino-4-nitrobenzenesulfonic acid
- IUPAC
- 2-amino-4-nitrobenzenesulfonic acid
- English name
- 4-Nitro-2-aminobenzenesulfonic acid
- Molecular formula
- C6H6N2O5S
- Molecular weight
- 218.19
Names & synonyms
2-amino-4-nitrobenzenesulfonic acid24311-40-8DTXSID30179051RefChem:255595DTXCID601015422-amino-4-nitrobenzene-1-sulfonic acid4-Nitro-o-sulfanilic acidSCHEMBL14859151-Nitro-3-aminobenzol-4-sulfosaureAKOS015967350Benzenesulfonic acid, 2-amino-4-nitro-
Database identifiers
- CAS
24311-40-8- PubChem CID
- 90464
- DTXSID
DTXSID30179051- Nikkaji
- J88.249F
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Melting point
- 300 °C · 300 °C (approx, decomp)(Solv: water (7732-18-5))
- Density
- 1.727 · 1.727±0.06 g/cm3(Predicted)
- pka
- -2.19 · -2.19±0.50(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
APAC Pharmaceutical, LLC[email protected]
Related reactions
1 records
Compound notes
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