2-(Trifluoromethoxy)benzoyl chloride

C₈H₄ClF₃O₂CAS 162046-61-9224.56 g/mol

Open in Covalent MOL file

Acyl halide Alkyl halide Ether

Properties

Molecular formula: C₈H₄ClF₃O₂
Molar mass: 224.56 g/mol
Exact mass: 223.9852 Da
logP: 2.96Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor84.8% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

162046-61-9

SMILES

C1=CC=C(C(=C1)C(=O)Cl)OC(F)(F)F

InChIKey

KSHPWYXAJJCUMJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H4ClF3O2/c9-7(13)5-3-1-2-4-6(5)14-8(10,11)12/h1-4H

Weigh it out

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

Work with 2-(Trifluoromethoxy)benzoyl 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-(Trifluoromethoxy)benzamide127979-74-263 % similar 2-(Trifluoromethoxy)benzoic acid150436-84-361 % similar 2-(Trifluoromethoxy)benzoic acid1979-29-961 % similar 2'-(Trifluoromethoxy)acetophenone220227-93-061 % similar 2-Methoxybenzoyl chloride21615-34-957 % similar 2,2-Difluoro-1,3-benzodioxole-4-carbonyl chloride143096-86-056 % similar 2-(Trifluoromethyl)benzoyl chloride312-94-753 % similar 2-Ethoxybenzoyl chloride42926-52-353 % similar

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

Same formula

2,4,5-Trifluoro-3-methoxybenzoyl chloride112811-66-2 4-Chloro-2-(trifluoromethyl)benzoic acid142994-09-0 4-Chloro-3-(trifluoromethyl)benzoic acid1737-36-6 2-Chloro-4-trifluoromethylbenzoic acid23228-45-7 2-Chloro-6-(trifluoromethyl)be2376-00-3 4-Trifluoromethoxybenzoyl chloride36823-88-8 2-Chloro-3-(trifluoromethyl)benzoic acid39226-97-6 3-Chloro-5-(trifluoromethyl)benzoic acid53985-49-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook