2-Anilino-5-nitrobenzenesulphonic acid
Basic information
- CAS
88-35-7- Standard SMILES
O=[N+]([O-])c1ccc(Nc2ccccc2)c(S(=O)(=O)O)c1- InChIKey
NEPCHOJJTQMEKY-UHFFFAOYSA-N- Molecular formula
- C12H10N2O5S
- Average molar mass
- 294.29 g/mol
- Monoisotopic mass
- 294.0310426
Names & identifiers
- Preferred name
- 2-Anilino-5-nitrobenzenesulphonic acid
- IUPAC
- 2-anilino-5-nitrobenzenesulfonic acid
- English name
- 2-anilino-5-nitrobenzenesulphonic acid
- Molecular formula
- C12H10N2O5S
- Molecular weight
- 294.28
Names & synonyms
2-Anilino-5-nitrobenzenesulphonic acid88-35-72-anilino-5-nitrobenzenesulfonic acidEINECS 201-824-5Y6AKQ4PU9KBenzenesulfonic acid, 5-nitro-2-(phenylamino)-SCHEMBL7820869DTXSID20236748NEPCHOJJTQMEKY-UHFFFAOYSA-N2-Anilino-5-nitrobenzene-1-sulfonic acidbenzenesulfonic acid, 2-anilino-5-nitro-NS00039257
Show more names
2-Phenylamino-5-nitrobenzenesulfonic acid
5-NITRO-2-(PHENYLAMINO)BENZENESULFONIC ACID
Database identifiers
- CAS
88-35-7- PubChem CID
- 66613
- DTXSID
DTXSID20236748- UNII
- Y6AKQ4PU9K
- EC Number
- 201-824-5
- Nikkaji
- J41.360G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 436
Physicochemical properties
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 2200 mg/kg 28ZPAK -,191,72
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
- Toxicity
- LD50 orl-rat: 2200 mg/kg 28ZPAK -,191,72
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Related reactions
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Compound notes
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