2-Methoxybenzenesulfonyl chloride

C₇H₇ClO₃SCAS 10130-87-7206.64 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

H290 May be corrosive to metals25% of notifiers
H314 Causes severe skin burns and eye damage75% of notifiers
H318 Causes serious eye damage25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

10130-87-7

SMILES

COC1=CC=CC=C1S(=O)(=O)Cl

InChIKey

GYOBZOBUOMDRRN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 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 chloride1483-28-962 % similar 2,4-Dimethoxybenzenesulfonyl chloride63624-28-262 % similar 5-Chloro-2-methoxybenzenesulfonyl chloride22952-32-560 % similar 6-Methoxy-M-toluenesulfonyl chloride88040-86-260 % similar 1,2-Benzenedisulfonyl dichloride6461-76-359 % similar 5-Bromo-2-methoxybenzenesulfonyl chloride23095-05-858 % similar 2-(Trifluoromethoxy)benzene-1-sulfonyl chloride103008-51-157 % similar 2-Methylbenzenesulfonyl chloride133-59-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Methoxybenzenesulfonyl chloride10130-74-2 4-Methoxybenzenesulfonyl chloride98-68-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook