4-Fluoro-2-methylbenzenesulfonyl chloride

C7H6ClFO2SCAS 7079-48-3208.63 g/mol

Open in Covalent MOL file
FSOOCl
Aryl halide

Properties

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

Hazards

Danger
Corrosive (GHS05)

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
7079-48-3
SMILES
CC1=C(C=CC(=C1)F)S(=O)(=O)Cl
InChIKey
XLPGWKNCWMFHOD-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClFO2S/c1-5-4-6(9)2-3-7(5)12(8,10)11/h2-4H,1H3

Weigh it out

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Work with 4-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

2,4-Difluorobenzenesulfonyl chloride13918-92-864 % similar 2,4-Dimethylbenzenesulfonyl chloride609-60-964 % similar 2-Chloro-4-fluorobenzenesulfonyl chloride85958-57-262 % similar 4-Bromo-2-methylbenzene-1-sulfonyl chloride139937-37-460 % similar 2-Bromo-4-fluorobenzene-1-sulfonyl chloride351003-45-760 % similar 4-Fluoro-2-methylbenzenesulfonamide489-17-860 % similar 2,5-Difluorobenzenesulfonyl chloride26120-86-559 % similar 4-Fluoro-2-(trifluoromethyl)-benzenesulfonyl chloride176225-09-557 % 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 2-Fluoro-4-methylbenzenesulfonyl chloride518070-29-6 4-Fluoro-3-methylbenzenesulfonyl chloride629672-19-1 2-Fluoro-5-methylbenzenesulfonyl chloride870704-14-6 3-Fluoro-4-methylbenzenesulfonyl chloride90260-13-2

Elsewhere

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