2-Fluorobenzotrifluoride

C₇H₄F₄CAS 392-85-8164.10 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₄F₄
Molar mass: 164.10 g/mol
Exact mass: 164.0249 Da
Boiling point: 114.5 °C
logP: 2.84Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% 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, 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

392-85-8

SMILES

Fc1ccccc1C(F)(F)F

InChIKey

BGVGHYOIWIALFF-UHFFFAOYSA-N

InChI

InChI=1S/C7H4F4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H

Weigh it out

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

Names and synonyms

9 names

Benzene, 1-fluoro-2-(trifluoromethyl)-
Toluene, o,α,α,α-tetrafluoro-
1-Fluoro-2-(trifluoromethyl)benzene
o-Fluorobenzotrifluoride
o,α,α,α-Tetrafluorotoluene
2-Trifluoromethylfluorobenzene
o-Fluoro(trifluoromethyl)benzene
NSC 10314
2-Fluoro-1-trifluoromethylbenzene

Work with 2-Fluorobenzotrifluoride

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2-Bis(trifluoromethyl)benzene433-95-465 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-564 % similar 2-Bromo-3-fluorobenzotrifluoride104540-42-359 % similar 2-Fluoro-6-(trifluoromethyl)aniline144851-61-659 % similar 2-Fluoro-6-(trifluoromethyl)benzonitrile133116-83-359 % similar 1-Fluoro-2-(trichloromethyl)benzene488-98-256 % similar 2-Fluoro-6-(trifluoromethyl)benzyl alcohol152211-15-953 % similar 2-Fluoro-6-(trifluoromethyl)benzylamine239087-06-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Alpha,alpha,alpha,3-Tetrafluorotoluene401-80-9 4-Fluorobenzotrifluoride402-44-8 1,2,4,5-Tetrafluoro-3-methylbenzene5230-78-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook