4-Trifluoromethylbenzoic anhydride

C₁₆H₈F₆O₃CAS 25753-16-6362.23 g/mol

Open in Covalent MOL file

Acid anhydride Alkyl halide

Properties

Molecular formula: C₁₆H₈F₆O₃
Molar mass: 362.23 g/mol
Exact mass: 362.0378 Da
logP: 4.72Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H400 Very toxic to aquatic life92.9% of notifiers
H410 Very toxic to aquatic life with long lasting effects92.9% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

25753-16-6

SMILES

C1=CC(=CC=C1C(=O)OC(=O)C2=CC=C(C=C2)C(F)(F)F)C(F)(F)F

InChIKey

FNAWJOBKLWLHTA-UHFFFAOYSA-N

InChI

InChI=1S/C16H8F6O3/c17-15(18,19)11-5-1-9(2-6-11)13(23)25-14(24)10-3-7-12(8-4-10)16(20,21)22/h1-8H

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Names and synonyms

1 names

4-(Trifluoromethyl)benzoic anhydride

Work with 4-Trifluoromethylbenzoic anhydride

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

Methyl 4-(trifluoromethyl)benzoate2967-66-070 % similar Ethyl 4-trifluoromethylbenzoate583-02-864 % similar 4-(Trifluoromethyl)benzamide1891-90-359 % similar 4-(Trifluoromethyl)benzoyl fluoride368-94-557 % similar 4-(Trifluoromethyl)benzoyl chloride329-15-755 % similar 4-(Trifluoromethyl)benzoic acid455-24-355 % similar 1-(4-(Trifluoromethyl)phenyl)ethan-1-one709-63-755 % similar 4′-Trifluoromethylbenzophenone728-86-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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