3-(Trifluoromethoxy)benzoyl chloride

C8H4ClF3O2CAS 86270-03-3224.56 g/mol

Open in Covalent MOL file
OFFFOCl
Acyl halideAlkyl halideEther

Properties

Molecular formula
C8H4ClF3O2
Molar mass
224.56 g/mol
Exact mass
223.9852 Da
logP
2.96Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
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, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
86270-03-3
SMILES
C1=CC(=CC(=C1)OC(F)(F)F)C(=O)Cl
InChIKey
MGKIOAXLPYJSMU-UHFFFAOYSA-N
InChI
InChI=1S/C8H4ClF3O2/c9-7(13)5-2-1-3-6(4-5)14-8(10,11)12/h1-4H

Weigh it out

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

Work with 3-(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

3-(Trifluoromethoxy)benzamide658-91-365 % similar 3-(Trifluoromethoxy)benzoic acid1014-81-963 % similar 3'-(Trifluoromethoxy)acetophenone170141-63-663 % similar Methyl 3-(trifluoromethoxy)benzoate148438-00-062 % similar 3-Methoxybenzoyl chloride1711-05-359 % similar Isophthaloyl chloride99-63-856 % similar 3-(Trifluoromethyl)benzoyl chloride2251-65-255 % similar 3-Ethoxybenzoyl chloride61956-65-855 % 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 2-(Trifluoromethoxy)benzoyl chloride162046-61-9 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

Elsewhere

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