4-Iodobenzenesulfonyl chloride

C6H4ClIO2SCAS 98-61-3302.51 g/mol

Open in Covalent MOL file
OSOClI
Aryl halide

Properties

Molecular formula
C6H4ClIO2S
Molar mass
302.51 g/mol
Exact mass
301.8665 Da
Melting point
85 °C
logP
2.22Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 47 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
98-61-3
SMILES
O=S(=O)(Cl)c1ccc(I)cc1
InChIKey
POXFXTSTVWDWIR-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClIO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H

Weigh it out

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

Names and synonyms

7 names
  • Benzenesulfonyl chloride, 4-iodo-
  • Benzenesulfonyl chloride, p-iodo-
  • p-Iodobenzenesulfonyl chloride
  • p-Iodophenylsulfonyl chloride
  • Pipsyl chloride
  • 4-Iodophenylsulfonyl chloride
  • NSC 77079

Work with 4-Iodobenzenesulfonyl 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

(1,1'-Biphenyl)-4,4'-disulfonyl dichloride3406-84-663 % similar 4-Chlorobenzenesulfonyl chloride98-60-258 % similar Benzenesulfonyl chloride98-09-956 % similar 4,4′-Oxybis[benzenesulfonyl chloride]121-63-156 % similar 4-Fluorobenzenesulfonyl chloride349-88-256 % similar 4-Bromobenzenesulfonyl chloride98-58-856 % similar 4-Toluenesulfonyl chloride98-59-956 % similar (1,1'-Biphenyl)-4-sulphonyl chloride1623-93-454 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Iodobenzene-1-sulfonyl chloride63059-29-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook