2-Fluoro-4-methylbenzenesulfonyl chloride

C₇H₆ClFO₂SCAS 518070-29-6208.63 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆ClFO₂S
Molar mass: 208.63 g/mol
Exact mass: 207.9761 Da
logP: 2.06Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number

518070-29-6

SMILES

Cc1ccc(S(=O)(=O)Cl)c(F)c1

InChIKey

SDBFDPOFXLVGQF-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClFO2S/c1-5-2-3-7(6(9)4-5)12(8,10)11/h2-4H,1H3

Weigh it out

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

Names and synonyms

3 names

Benzenesulfonyl chloride, 2-fluoro-4-methyl-
2-Fluoro-4-methylbenzene-1-sulfonyl chloride
2-Fluoro-4-methylbenzenesulphonyl chloride

Work with 2-Fluoro-4-methylbenzenesulfonyl 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

2,4-Difluorobenzenesulfonyl chloride13918-92-864 % similar 2,4-Dimethylbenzenesulfonyl chloride609-60-964 % similar 4-Chloro-2-fluorobenzene-1-sulfonyl chloride141337-26-062 % similar 4-Bromo-2-fluorobenzene-1-sulfonyl chloride216159-03-460 % similar 2,5-Dimethylbenzenesulfonyl chloride19040-62-159 % similar 2,4,5-Trifluorobenzenesulfonyl chloride220227-21-456 % similar 2-Fluorobenzenesulfonyl chloride2905-21-755 % similar 6-Methoxy-M-toluenesulfonyl chloride88040-86-253 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(4-Fluoro-phenyl)-methanesulfonyl chloride103360-04-9 5-Fluoro-2-methylbenzenesulfonyl chloride445-05-6 4-Fluoro-3-methylbenzenesulfonyl chloride629672-19-1 4-Fluoro-2-methylbenzenesulfonyl chloride7079-48-3 2-Fluoro-5-methylbenzenesulfonyl chloride870704-14-6 3-Fluoro-4-methylbenzenesulfonyl chloride90260-13-2

Elsewhere

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