4-Chloro-3-nitrobenzenesulfonyl chloride

C6H3Cl2NO4SCAS 97-08-5256.05 g/mol

Open in Covalent MOL file
ON+O−SOOClCl
Aryl halideNitro

Properties

Molecular formula
C6H3Cl2NO4S
Molar mass
256.05 g/mol
Exact mass
254.9160 Da
Melting point
101–102 °C
logP
2.18Crippen estimate
Polar surface area
77.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number
97-08-5
SMILES
O=[N+]([O-])c1cc(S(=O)(=O)Cl)ccc1Cl
InChIKey
SEWNAJIUKSTYOP-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl2NO4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H

Weigh it out

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

Names and synonyms

6 names
  • Benzenesulfonyl chloride, 4-chloro-3-nitro-
  • Yellow sulfon chloride
  • 3-Nitro-4-chlorobenzenesulfonyl chloride
  • 4-Chloro-3-nitrophenylsulfonyl chloride
  • 4-Chloro-5-nitrobenzenesulfonyl chloride
  • 4-Chloro-3-nitrobenzene-1-sulfonyl chloride

Work with 4-Chloro-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

Similar compounds

4-Chloro-3-nitrobenzenesulfonic acid121-18-667 % similar 4-Methyl-3-nitrobenzenesulfonyl chloride616-83-167 % similar 1-Chloro-4-(methylsulfonyl)-2-nitrobenzene97-07-467 % similar 4-Chloro-3-nitrobenzenesulfonamide97-09-667 % similar Sodium 4-chloro-3-nitrobenzenesulfonate17691-19-965 % similar 3-Fluoro-4-nitrobenzenesulfonyl chloride86156-93-663 % similar 3-Nitrobenzenesulfonyl chloride121-51-759 % similar 4-Nitro-3-(trifluoromethyl)benzenesulfonyl chloride39234-83-858 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-5-nitrobenzenesulfonyl chloride4533-95-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook