5-Chloro-2-methoxybenzenesulfonyl chloride

C₇H₆Cl₂O₃SCAS 22952-32-5241.08 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₇H₆Cl₂O₃S
Molar mass: 241.08 g/mol
Exact mass: 239.9415 Da
logP: 2.28Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Danger

H290 May be corrosive to metals14.3% of notifiers
H302 Harmful if swallowed28.6% of notifiers
H312 Harmful in contact with skin28.6% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage14.3% of notifiers
H332 Harmful if inhaled28.6% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P390, P405, P406, P501

Identifiers

CAS number

22952-32-5

SMILES

COC1=C(C=C(C=C1)Cl)S(=O)(=O)Cl

InChIKey

FCJGLIMDVOTBLO-UHFFFAOYSA-N

InChI

InChI=1S/C7H6Cl2O3S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,1H3

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

Names and synonyms

1 names

5-Chloro-2-methoxybenzene-1-sulfonyl chloride

Work with 5-Chloro-2-methoxybenzenesulfonyl 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

2,5-Dimethoxybenzenesulfonyl chloride1483-28-969 % similar 6-Methoxy-M-toluenesulfonyl chloride88040-86-267 % similar 5-Bromo-2-methoxybenzenesulfonyl chloride23095-05-865 % similar 2-Methoxybenzenesulfonyl chloride10130-87-760 % similar 2,5-Dichlorobenzenesulfonyl chloride5402-73-357 % similar 2,4-Dimethoxybenzenesulfonyl chloride63624-28-255 % similar 3,4-Dimethoxybenzenesulfonyl chloride23095-31-054 % similar 5-Chloro-2-fluorobenzenesulfonyl chloride351003-49-154 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook