Basic information
- CAS
22939-93-1- Standard SMILES
COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]- InChIKey
JESBYSXPKUMFRV-UHFFFAOYSA-N- Molecular formula
- C7H8N2O5S
- Average molar mass
- 232.22 g/mol
- Monoisotopic mass
- 232.01539253
Names & identifiers
- Preferred name
- 4-Methoxy-3-nitrobenzenesulphonamide
- IUPAC
- 4-methoxy-3-nitrobenzenesulfonamide
- English name
- 4-methoxy-3-nitrobenzenesulphonamide
- Molecular formula
- C7H8N2O5S
- Molecular weight
- 232.21
Names & synonyms
4-methoxy-3-nitrobenzenesulfonamide22939-93-14-methoxy-3-nitrobenzene-1-sulfonamide4-Methoxy-3-nitrobenzenesulphonamideBenzenesulfonamide, 4-methoxy-3-nitro-548NXP6AW2NSC-231682EINECS 245-339-7NSC231682UNII-548NXP6AW2SCHEMBL1186309DTXSID20177480
Show more names
3-Nitro-4-methoxybenzenesulfonamideXAA939933-Nitro-4-methoxybenzenesulphonamide4-methoxy-5-nitrobenzenesulphonamide4-methoxy-3-nitro-benzenesulfonamideGS1123AKOS000137845NSC 231682
Database identifiers
- CAS
22939-93-1- PubChem CID
- 89910
- DTXSID
DTXSID20177480- UNII
- 548NXP6AW2
- EC Number
- 245-339-7
- Nikkaji
- J318.366A
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Melting point
- 175 °C · 175 °C
- Boiling point
- 447.3 · 447.3±55.0 °C(Predicted)
- Density
- 1.505 · 1.505±0.06 g/cm3(Predicted)
- pka
- 9.65 · 9.65±0.60(Predicted)
- FDA UNII
- 548 NXP6AW2 · 548NXP6AW2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
4 records
Compound notes
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