Basic information
- CAS
26199-83-7- Standard SMILES
CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1- InChIKey
SIAFPFYUZDZDQD-UHFFFAOYSA-N- Molecular formula
- C8H10N2O4S
- Average molar mass
- 230.24 g/mol
- Monoisotopic mass
- 230.0361278
Names & identifiers
- Preferred name
- N,N-Dimethyl 3-nitrobenzenesulfonamide
- IUPAC
- N,N-dimethyl-3-nitrobenzenesulfonamide
- English name
- N,N-Dimethyl 3-nitrobenzenesulfonamide
- Molecular formula
- C8H10N2O4S
- Molecular weight
- 230.24
Names & synonyms
26199-83-7N,N-Dimethyl 3-nitrobenzenesulfonamideN,N-Dimethyl-3-nitrobenzenesulfonamideMFCD01985504N,N-DIMETHYL-3-NITROBENZENE-1-SULFONAMIDEN,N-Dimethyl-3-nitro-benzenesulfonamideBenzenesulfonamide, N,N-dimethyl-3-nitro-N,N-Dimethyl-m-nitrobenzenesulfonamideNSC12995SCHEMBL854501SCHEMBL6152627SCHEMBL6759088
Show more names
Benzenesulfonamide,N,N-dimethyl-3-nitro-N,N-DIMETHYL 3-NITROBENZENESULFONAMIDE USP/EP/BP
CHEMBL3952005SCHEMBL30213213DTXSID902795213-dimethylaminosulfonylnitrobenzeneBBA19983NSC-12995STK2252503-nitro-N,N-dimethylbenzenesulfonamide
Database identifiers
- CAS
26199-83-7- PubChem CID
- 224495
- DTXSID
DTXSID90279521- ChEMBL
CHEMBL3952005- Nikkaji
- J1.425.856F
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Melting point
- 120 · 120-121 °C(Solv: ethanol (64-17-5))
- Boiling point
- 363.9 · 363.9±44.0 °C(Predicted)
- Density
- 1.38 · 1.380±0.06 g/cm3(Predicted)
- pka
- -5.65 · -5.65±0.70(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
Suppliers19 total
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Related reactions
6 records
Compound notes
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