4-Methyl-3-nitrobenzenesulfonyl chloride

C₇H₆ClNO₄SCAS 616-83-1235.64 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆ClNO₄S
Molar mass: 235.64 g/mol
Exact mass: 234.9706 Da
Melting point: 34 °C
logP: 1.83Crippen estimate
Polar surface area: 77.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Identifiers

CAS number

616-83-1

SMILES

Cc1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-]

InChIKey

OQFYBGANSUNUAO-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClNO4S/c1-5-2-3-6(14(8,12)13)4-7(5)9(10)11/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Benzenesulfonyl chloride, 4-methyl-3-nitro-
p-Toluenesulfonyl chloride, 3-nitro-
2-Nitrotoluene-4-sulfonyl chloride
4-Methyl-3-nitrobenzene-1-sulfonyl chloride

Work with 4-Methyl-3-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 Isotope patternExact mass and the mass spectrum pattern

Same formula

4-Chloro-3-sulfamoylbenzoic acid1205-30-7 2-Methyl-5-nitrobenzenesulfonyl chloride121-02-8 4-Nitrobenzenemethanesulfonyl chloride4025-75-6 5-(Aminosulfonyl)-2-chlorobenzoic acid97-04-1 1-Chloro-4-(methylsulfonyl)-2-nitrobenzene97-07-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook