4-Chloro-2-nitrobenzenesulfonamide
Basic information
- CAS
13852-81-8- Standard SMILES
NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]- InChIKey
QOQQUXGKXVOXTH-UHFFFAOYSA-N- Molecular formula
- C6H5ClN2O4S
- Average molar mass
- 236.63 g/mol
- Monoisotopic mass
- 235.9658555
Names & identifiers
- Preferred name
- 4-Chloro-2-nitrobenzenesulfonamide
- IUPAC
- 4-chloro-2-nitrobenzenesulfonamide
- English name
- 4-chloro-2-nitrobenzenesulphonamide
- Molecular formula
- C6H5ClN2O4S
- Molecular weight
- 236.63
Names & synonyms
4-chloro-2-nitrobenzenesulfonamide13852-81-84-chloro-2-nitrobenzene-1-sulfonamide4-Chloro-2-nitrobenzenesulphonamideMLS000737085MFCD00171177W8M2G6K5SV4-chloro-2-nitro-benzenesulfonamideNSC-81213Benzenesulfonamide, 4-chloro-2-nitro-SMR0005283642-Nitro-4-chlorobenzenesulfonamide
Show more names
NSC81213EINECS 237-590-6UNII-W8M2G6K5SVcid_837734-Chlor-2-nitrobenzolsulfamidCHEMBL1368267SCHEMBL27334707BDBM33007
Database identifiers
- CAS
13852-81-8- PubChem CID
- 83773
- DTXSID
DTXSID90160703- ChEMBL
CHEMBL1368267- UNII
- W8M2G6K5SV
- EC Number
- 237-590-6
- Nikkaji
- J280.338K
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Melting point
- 166 · 166-167 °C
- Boiling point
- 424 · 424.0±55.0 °C(Predicted)
- Density
- 1.664 · 1.664±0.06 g/cm3(Predicted)
- pka
- 9.05 · 9.05±0.60(Predicted)
- FDA UNII
- 8 M2G6K5SV · W8M2G6K5SV
- 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
Downstream products
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Compound notes
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