5-Fluoro-2-methylbenzenesulfonyl chloride

C₇H₆ClFO₂SCAS 445-05-6208.63 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
H318 Causes serious eye damage84.8% of notifiers

Aggregated from 46 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

445-05-6

SMILES

CC1=C(C=C(C=C1)F)S(=O)(=O)Cl

InChIKey

NPEWBMJAUUSBLE-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClFO2S/c1-5-2-3-6(9)4-7(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

1 names

5-Fluoro-2-methylbenzenesulphonyl chloride

Work with 5-Fluoro-2-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

2,5-Dimethylbenzenesulfonyl chloride19040-62-164 % similar 2,5-Difluorobenzenesulfonyl chloride26120-86-564 % similar 2,4-Difluorobenzenesulfonyl chloride13918-92-859 % similar 2-Chloro-4-fluorobenzenesulfonyl chloride85958-57-257 % similar 2-Bromo-4-fluorobenzene-1-sulfonyl chloride351003-45-756 % similar 2-Methylbenzenesulfonyl chloride133-59-555 % similar 4-Fluoro-2-(trifluoromethyl)-benzenesulfonyl chloride176225-09-553 % similar 2-Methyl-5-nitrobenzenesulfonyl chloride121-02-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(4-Fluoro-phenyl)-methanesulfonyl chloride103360-04-9 2-Fluoro-4-methylbenzenesulfonyl chloride518070-29-6 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

PubChem CAS Common Chemistry NIST WebBook