2-Chloro-5-(trifluoromethyl)benzenesulfonyl chloride

C₇H₃Cl₂F₃O₂SCAS 54090-08-3279.05 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₃Cl₂F₃O₂S
Molar mass: 279.05 g/mol
Exact mass: 277.9183 Da
logP: 3.29Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed16.7% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H332 Harmful if inhaled16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number

54090-08-3

SMILES

C1=CC(=C(C=C1C(F)(F)F)S(=O)(=O)Cl)Cl

InChIKey

ZEYKLMDPUOVUCR-UHFFFAOYSA-N

InChI

InChI=1S/C7H3Cl2F3O2S/c8-5-2-1-4(7(10,11)12)3-6(5)15(9,13)14/h1-3H

Weigh it out

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

Names and synonyms

1 names

2-Chloro-5-(trifluoromethyl)benzene-1-sulfonyl chloride

Work with 2-Chloro-5-(trifluoromethyl)benzenesulfonyl 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-Bis(trifluoromethyl)benzenesulfonyl chloride351003-22-071 % similar 2-Bromo-5-(trifluoromethyl)benzenesulfonyl chloride176225-08-465 % similar 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride54403-98-461 % similar 2,6-Dichloro-4-(trifluoromethyl)benzenesulfonyl chloride175205-76-258 % similar 2,5-Dichlorobenzenesulfonyl chloride5402-73-357 % similar m-Trifluoromethylbenzenesulfonyl chloride777-44-657 % similar 3,4-Dichlorobenzotrifluoride328-84-755 % similar 4-(Trifluoromethyl)benzenesulfonyl chloride2991-42-654 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-4-(trifluoromethyl)benzenesulfonyl chloride175205-54-6 4-Chloro-3-(trifluoromethyl)benzenesulfonyl chloride32333-53-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook