Sodium 2-(p-aminoanilino)-5-nitrobenzenesulphonate
Basic information
- CAS
14846-08-3- Standard SMILES
Nc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)[O-])cc1.[Na+]- InChIKey
XSXRGWHJJRBOGQ-UHFFFAOYSA-M- Molecular formula
- C12H10N3NaO5S
- Average molar mass
- 331.28 g/mol
- Monoisotopic mass
- 331.02388588
Names & identifiers
- Preferred name
- Sodium 2-(p-aminoanilino)-5-nitrobenzenesulphonate
- IUPAC
- sodium 2-(4-aminoanilino)-5-nitrobenzenesulfonate
- English name
- sodium 2-(p-aminoanilino)-5-nitrobenzenesulphonate
- Molecular formula
- C12H10N3NaO5S
- Molecular weight
- 331.27967
Names & synonyms
Sodium 2-(p-aminoanilino)-5-nitrobenzenesulphonate14846-08-3EINECS 238-906-5DTXSID30163990RefChem:183596DTXCID9086481238-906-5sodium;2-(4-aminoanilino)-5-nitrobenzenesulfonateNS00085233Sodium 2-(4-aminoanilino)-5-nitrobenzene-1-sulfonateBENZENESULFONIC ACID2-[(4-AMINOPHENYL)AMINO])sodium,2-(4-aminoanilino)-5-nitrobenzenesulfonate
Show more names
2-(p-Aminoanilino)-5-nitrobenzenesulfonic acid sodium salt
Database identifiers
- CAS
14846-08-3- PubChem CID
- 5743372
- DTXSID
DTXSID30163990- EC Number
- 238-906-5
Properties
Computed structural properties
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 451
Physicochemical properties
- Boiling point
- 725.47 ℃[at · 725.47℃[at 101 325 Pa]
- Density
- 1.607 · 1.607[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 25℃
- Water Solubility
- 1000 g/L · 1000g/L at 25℃
- LogP
- -2.725 at · -2.725 at 25℃
- REACH Registrations
- Inactive
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 InformationREACH registered substance: Sodium 2-(p-aminoanilino)-5-nitrobenzenesulphonate (EC: 238-906-5)
Hazard Classes and CategoriesNot Classified
Safety data
- REACH Registrations
- Inactive
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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