Methyl o-(chlorosulfonyl)benzoate

C₈H₇ClO₄SCAS 26638-43-7234.65 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₇ClO₄S
Molar mass: 234.65 g/mol
Exact mass: 233.9754 Da
logP: 1.40Crippen estimate
Polar surface area: 60.4 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage88.6% of notifiers

Aggregated from 44 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

26638-43-7

SMILES

COC(=O)c1ccccc1S(=O)(=O)Cl

InChIKey

HUNUAFNLLYVTQD-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3

Weigh it out

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

Names and synonyms

8 names

Benzoic acid, 2-(chlorosulfonyl)-, methyl ester
Benzoic acid, o-(chlorosulfonyl)-, methyl ester
o-(Methoxycarbonyl)benzenesulfonyl chloride
o-(Carbomethoxy)benzenesulfonyl chloride
2-(Methoxycarbonyl)benzenesulfonyl chloride
Methyl 2-(chlorosulfonyl)benzoate
2-(Carbomethoxy)benzenesulfonyl chloride
2-Chlorosulfonylbenzoic acid methyl ester

Work with Methyl o-(chlorosulfonyl)benzoate

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

Methyl 2-(aminosulfonyl)benzoate57683-71-363 % similar Dimethyl phthalate131-11-359 % similar Methyl 3-(chlorosulfonyl)-2-thiophenecarboxylate59337-92-756 % similar Methyl 2-chlorobenzoate610-96-854 % similar Methyl 2-bromobenzoate610-94-651 % similar Methyl 2-methylbenzoate89-71-451 % similar 2-Methoxybenzenesulfonyl chloride10130-87-750 % similar Methyl salicylate119-36-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(4-Chlorobenzenesulfonyl)acetic acid3405-89-8 2-Chloro-4-(methylsulfonyl)benzoic acid53250-83-2 Methyl benzoate-3-sulfonyl chloride63555-50-0 2,3-Dihydro-1,4-benzodioxine-6-sulfonyl chloride63758-12-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook