1,2-Difluoro-3-(trifluoromethyl)benzene

C₇H₃F₅CAS 64248-59-5182.09 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₃F₅
Molar mass: 182.09 g/mol
Exact mass: 182.0155 Da
logP: 2.98Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

64248-59-5

SMILES

Fc1cccc(C(F)(F)F)c1F

InChIKey

CBOJZWDLNLMBLM-UHFFFAOYSA-N

InChI

InChI=1S/C7H3F5/c8-5-3-1-2-4(6(5)9)7(10,11)12/h1-3H

Weigh it out

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

Names and synonyms

2 names

Benzene, 1,2-difluoro-3-(trifluoromethyl)-
2,3-Difluorobenzotrifluoride

Work with 1,2-Difluoro-3-(trifluoromethyl)benzene

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-Fluorobenzotrifluoride392-85-864 % similar 3-Bromo-2-fluorobenzotrifluoride144584-67-861 % similar 2-Bromo-3-fluorobenzotrifluoride104540-42-359 % similar 2-Fluoro-3-(trifluoromethyl)aniline123973-25-159 % similar 2-Fluoro-6-(trifluoromethyl)aniline144851-61-659 % similar 2-Fluoro-3-(trifluoromethyl)phenol207291-85-859 % similar 2-Fluoro-6-(trifluoromethyl)benzyl alcohol152211-15-958 % similar 2-Fluoro-6-(trifluoromethyl)benzylamine239087-06-058 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2-Difluoro-4-(trifluoromethyl)benzene32137-19-2 1,4-Difluoro-2-(trifluoromethyl)benzene393-38-4 2,4-Difluorobenzotrifluoride64248-61-9 Pentafluoromethylbenzene771-56-2

Elsewhere

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