Basic information
- CAS
5454-97-7- Standard SMILES
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1- InChIKey
MLPVALKIJBKOGG-UHFFFAOYSA-N- Molecular formula
- C12H10N2O4S
- Average molar mass
- 278.29 g/mol
- Monoisotopic mass
- 278.03612798
Names & identifiers
- Preferred name
- 2-Nitro-N-phenylbenzenesulfonamide
- IUPAC
- 2-nitro-N-phenylbenzenesulfonamide
- English name
- NSC23391
- Molecular formula
- C12H10N2O4S
- Molecular weight
- 278.28
Names & synonyms
2-Nitro-N-phenylbenzenesulfonamideBenzenesulfonamide, 2-nitro-N-phenyl-DTXSID60281898RefChem:88699DTXCID40233052MLPVALKIJBKOGG-UHFFFAOYSA-N5454-97-72-NitrobenzenesulfonanilideNSC23391MFCD005478422-nitro-N-phenyl-benzenesulfonamideNSC629276
Show more names
2-nitro-N-phenylbenzene-1-sulfonamide2NO2PhSO2NHPhCBMicro_006604Cambridge id 5145377SCHEMBL410747CHEMBL2272403SCHEMBL31235173SMSF0003789
Database identifiers
- CAS
5454-97-7- PubChem CID
- 229600
- DTXSID
DTXSID60281898- ChEMBL
CHEMBL2272403- Nikkaji
- J1.858.950H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 406
Physicochemical properties
- Melting point
- 115 °C · 115 °C
- Boiling point
- 462 · 462.0±47.0 °C(Predicted)
- Density
- 1.461 · 1.461±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 7.74 · 7.74±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
Aladdin Scientific[email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
吉良化学21-62165282 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
Related reactions
26 records
Compound notes
Loading…