2-(Trifluoromethoxy)benzene-1-sulfonyl chloride

C7H4ClF3O3SCAS 103008-51-1260.61 g/mol

Open in Covalent MOL file
OFFFSOOCl
Alkyl halideEther

Properties

Molecular formula
C7H4ClF3O3S
Molar mass
260.61 g/mol
Exact mass
259.9522 Da
logP
2.51Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

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
103008-51-1
SMILES
C1=CC=C(C(=C1)OC(F)(F)F)S(=O)(=O)Cl
InChIKey
JLTBWYIUMFEOTN-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClF3O3S/c8-15(12,13)6-4-2-1-3-5(6)14-7(9,10)11/h1-4H

Weigh it out

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

Work with 2-(Trifluoromethoxy)benzene-1-sulfonyl 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

4-Bromo-2-(trifluoromethoxy)benzene-1-sulfonyl chloride175278-14-562 % similar 2-(Trifluoromethoxy)benzenesulfonamide37526-59-361 % similar 2-Methoxybenzenesulfonyl chloride10130-87-757 % similar 2-(Trifluoromethoxy)benzenesulfonyl isocyanate99722-81-354 % similar 1,2-Benzenedisulfonyl dichloride6461-76-353 % similar 2-Trifluoromethylbenzenesulphonyl chloride776-04-553 % similar 2-Cyanobenzenesulphonyl chloride69360-26-550 % similar 2-Fluorobenzenesulfonyl chloride2905-21-749 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Trifluoromethoxy)benzenesulfonyl chloride220227-84-9 4-(Trifluoromethoxy)benzenesulfonyl chloride94108-56-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook