2,4,5-Trifluoro-3-methoxybenzoyl chloride

C8H4ClF3O2CAS 112811-66-2224.56 g/mol

Open in Covalent MOL file
OFFOClF
Acyl halideAryl halideEther

Properties

Molecular formula
C8H4ClF3O2
Molar mass
224.56 g/mol
Exact mass
223.9852 Da
logP
2.49Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

Aggregated from 77 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
112811-66-2
SMILES
COC1=C(C(=CC(=C1F)F)C(=O)Cl)F
InChIKey
JVQSZTJTWSUJCR-UHFFFAOYSA-N
InChI
InChI=1S/C8H4ClF3O2/c1-14-7-5(11)3(8(9)13)2-4(10)6(7)12/h2H,1H3

Weigh it out

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Work with 2,4,5-Trifluoro-3-methoxybenzoyl 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-Methoxy-2,4,5-trifluorobenzoic acid11281-65-564 % similar 2,4,5-Trifluoro-3-methoxybenzoic acid112811-65-164 % similar 2,4,5-Trifluoro-3-methoxy-benzoic acid methyl ester136897-64-864 % similar 2,3,4,5-Tetrafluorobenzoyl chloride94695-48-463 % similar 2,3,5,6-Tetrafluoroanisole2324-98-358 % similar 2,3,5-Trifluorobenzoyl chloride240800-48-055 % similar 2-Fluoro-4-methoxybenzoylchloride321-24-454 % similar 2,3,5,6-Tetrafluorobenzoyl chloride107535-73-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 3-Chloro-5-(trifluoromethyl)benzoic acid53985-49-2

Elsewhere

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