2,4-Dimethoxybenzenesulfonyl chloride

C₈H₉ClO₄SCAS 63624-28-2236.67 g/mol

Open in Covalent MOL file

Ether

Properties

Molecular formula: C₈H₉ClO₄S
Molar mass: 236.67 g/mol
Exact mass: 235.9910 Da
Melting point: 67–69 °C
logP: 1.63Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H317 May cause an allergic skin reaction90.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

63624-28-2

SMILES

COc1ccc(S(=O)(=O)Cl)c(OC)c1

InChIKey

AYGZKRRIULCJKC-UHFFFAOYSA-N

InChI

InChI=1S/C8H9ClO4S/c1-12-6-3-4-8(14(9,10)11)7(5-6)13-2/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

3 names

Benzenesulfonyl chloride, 2,4-dimethoxy-
2,4-Dimethoxyphenylsulfonyl chloride
2,4-Dimethoxybenzene-1-sulfonyl chloride

Work with 2,4-Dimethoxybenzenesulfonyl 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-Methoxybenzenesulfonyl chloride10130-87-762 % similar 2-Methoxy-4-nitrobenzenesulfonyl chloride21320-91-259 % similar 4-Methoxybenzenesulfonyl chloride98-68-056 % similar 5-Chloro-2-methoxybenzenesulfonyl chloride22952-32-555 % similar 6-Methoxy-M-toluenesulfonyl chloride88040-86-255 % similar 3-Methoxybenzenesulfonyl chloride10130-74-254 % similar 5-Bromo-2-methoxybenzenesulfonyl chloride23095-05-854 % similar 1,2,4-Trimethoxybenzene135-77-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dimethoxybenzenesulfonyl chloride1483-28-9 3,4-Dimethoxybenzenesulfonyl chloride23095-31-0

Elsewhere

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