3,4-Dimethoxybenzenesulfonyl chloride

C8H9ClO4SCAS 23095-31-0236.67 g/mol

Open in Covalent MOL file
OSOOClO
Ether

Properties

Molecular formula
C8H9ClO4S
Molar mass
236.67 g/mol
Exact mass
235.9910 Da
Melting point
63–66 °C
logP
1.63Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
23095-31-0
SMILES
COc1ccc(S(=O)(=O)Cl)cc1OC
InChIKey
RSJSYCZYQNJQPY-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClO4S/c1-12-7-4-3-6(14(9,10)11)5-8(7)13-2/h3-5H,1-2H3

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Names and synonyms

4 names
  • Benzenesulfonyl chloride, 3,4-dimethoxy-
  • 3,4-Dimethoxyphenylsulfonyl chloride
  • 3,4-Dimethoxybenzene-1-sulfonyl chloride
  • 3,4-Bis(methoxy)benzenesulfonyl chloride

Work with 3,4-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

4-Methoxybenzenesulfonyl chloride98-68-059 % similar 2,3-Dihydro-1,4-benzodioxine-6-sulfonyl chloride63758-12-359 % similar 3-Methoxybenzenesulfonyl chloride10130-74-257 % similar 5-Chloro-2-methoxybenzenesulfonyl chloride22952-32-554 % similar 6-Methoxy-M-toluenesulfonyl chloride88040-86-254 % similar 5-Bromo-2-methoxybenzenesulfonyl chloride23095-05-853 % similar 2-Methoxybenzenesulfonyl chloride10130-87-751 % similar 2,3-Dihydrobenzofuran-5-sulfonyl Chloride115010-11-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dimethoxybenzenesulfonyl chloride1483-28-9 2,4-Dimethoxybenzenesulfonyl chloride63624-28-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook