3-Methoxybenzenesulfonyl chloride

C₇H₇ClO₃SCAS 10130-74-2206.64 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₇ClO₃S
Molar mass: 206.64 g/mol
Exact mass: 205.9804 Da
logP: 1.62Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage81.2% of notifiers

Aggregated from 48 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

10130-74-2

SMILES

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

InChIKey

JHJKSEKUZNJKGO-UHFFFAOYSA-N

InChI

InChI=1S/C7H7ClO3S/c1-11-6-3-2-4-7(5-6)12(8,9)10/h2-5H,1H3

Weigh it out

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

Work with 3-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

1,3-Benzenedisulfonyl dichloride585-47-762 % similar 3,4-Dimethoxybenzenesulfonyl chloride23095-31-057 % similar 3-Chlorobenzenesulfonyl chloride2888-06-455 % similar 2,4-Dimethoxybenzenesulfonyl chloride63624-28-254 % similar Methyl benzoate-3-sulfonyl chloride63555-50-053 % similar 1,3-Dimethoxybenzene151-10-052 % similar 3-Chloro-4-methylbenzenesulfonyl chloride42413-03-649 % similar 3,4-Dimethylbenzenesulfonyl chloride2905-30-849 % similar

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

Same formula

2-Methoxybenzenesulfonyl chloride10130-87-7 4-Methoxybenzenesulfonyl chloride98-68-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook