4-Nitrobenzenesulfonyl chloride
Properties
- Molecular formula
- C6H4ClNO4S
- Molar mass
- 221.61 g/mol
- Exact mass
- 220.9550 Da
- Melting point
- 78 °C
- Boiling point
- 108–110 °C
- logP
- 1.52Crippen estimate
- Polar surface area
- 77.3 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 2
Identifiers
CAS number
98-74-8SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cc1InChIKey
JXRGUPLJCCDGKG-UHFFFAOYSA-NInChI
InChI=1S/C6H4ClNO4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- Benzenesulfonyl chloride, 4-nitro-
- Benzenesulfonyl chloride, p-nitro-
- p-Nitrobenzenesulfonyl chloride
- p-Nitrophenylsulfonyl chloride
- 4-Nitrophenylsulfonyl chloride
- 4-Nitrobenzenesulfonic acid chloride
- Nosyl chloride
- NSC 13065
- NSC 9572
- 4-Nitrobenzene-1-sulfonyl chloride
- 4-Nitrophenyl-1-sulfonyl chloride
- p-Nosyl chloride
Work with 4-Nitrobenzenesulfonyl chloride
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2,4-Dinitrobenzenesulfonyl chloride1656-44-658 % similar
1,4-Dinitrobenzene100-25-458 % similar
4-Nitrobenzenesulfonic acid138-42-158 % similar
4-Nitrobenzenesulfonamide6325-93-558 % similar
2-Chloro-5-nitrobenzenesulfonyl chloride4533-95-357 % similar
4-Chloro-3-nitrobenzenesulfonyl chloride97-08-557 % similar
2-Methyl-5-nitrobenzenesulfonyl chloride121-02-855 % similar
4-Methyl-3-nitrobenzenesulfonyl chloride616-83-155 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds