Benzenesulfonamide, 4-chloro-N,N-dimethyl-3-nitro-
Basic information
- CAS
137-47-3- Standard SMILES
CN(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1- InChIKey
HBTAOSGHCXUEKI-UHFFFAOYSA-N- Molecular formula
- C8H9ClN2O4S
- Average molar mass
- 264.69 g/mol
- Monoisotopic mass
- 263.9971556
Names & identifiers
- Preferred name
- Benzenesulfonamide, 4-chloro-N,N-dimethyl-3-nitro-
- IUPAC
- 4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide
- English name
- 2-Nitrochlorobenzene-4-(N,N-dimethyl)-sulphonamide
- Molecular formula
- C8H9ClN2O4S
- Molecular weight
- 264.69
Names & synonyms
Benzenesulfonamide, 4-chloro-N,N-dimethyl-3-nitro-4-Chloro-3-nitro-N,N-dimethylbenzenesulfonamideEINECS 205-295-1NSC 231629DTXSID4059671RefChem:563769DTXCID6034394137-47-34-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide4-Chloro-N,N-dimethyl-3-nitro-benzenesulfonamide4-chloro-N,N-dimethyl-3-nitrobenzene-1-sulfonamide2-NITROCHLOROBENZENE-4-(N,N-DIMETHYL)-SULPHONAMIDE
Show more names
5-(Dimethylsulfamoyl)-2-chloronitrobenzene4-CHLORO-3-NITRO-N,N-DIMETHYLBENZENESULFAMIDE4-chloro-n,n-dimethyl-3-nitro-benzenesulfonamidN,N-Dimethyl-3-nitro-4-chlorobenzenesulfonamideN,N-DIMETHYL-4-CHLORO-3-NITROBENZENE SULFONAMIDE2-NITROCHLOROBENZENE-4-(N,N-DIMETHYL)-SULPHOMIDE
MFCD00088651Y4SEF4NTW34-Chloro-N,N-dimethyl-3-nitrobenzenesulphonamideCHEMBL52795NSC-231629NSC231629UNII-Y4SEF4NTW3SCHEMBL6215796
Database identifiers
- CAS
137-47-3- PubChem CID
- 67300
- DTXSID
DTXSID4059671- ChEMBL
CHEMBL52795- UNII
- Y4SEF4NTW3
- EC Number
- 205-295-1
- Nikkaji
- J30.817J
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- Melting point
- 103.5 ℃ · 103.5℃ (acetone water )
- Boiling point
- 387.3 · 387.3±52.0 °C(Predicted)
- Density
- 1.48 · 1.480±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -6.31 · -6.31±0.70(Predicted)
- FDA UNII
- 4 SEF4NTW3 · Y4SEF4NTW3
- EPA Substance Registry System
- 4 · Benzenesulfonamide, 4-chloro-N,N-dimethyl-3-nitro- (137-47-3)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonamide, 4-chloro-N,N-dimethyl-3-nitro-: INACTIVE
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…