Alpha,alpha,alpha,3-Tetrafluorotoluene

C₇H₄F₄CAS 401-80-9164.10 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
Density: 1.2891 g/mL (at 25.4 °C)
Melting point: −81.5 °C
Boiling point: 101.5 °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 vapor96.2% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation98.1% of notifiers

Aggregated from 52 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

401-80-9

SMILES

Fc1cccc(C(F)(F)F)c1

InChIKey

GBOWGKOVMBDPJF-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

12 names

3-Fluorobenzotrifluoride
Benzene, 1-fluoro-3-(trifluoromethyl)-
Toluene, m,α,α,α-tetrafluoro-
1-Fluoro-3-(trifluoromethyl)benzene
m-Fluorobenzotrifluoride
Trifluoromethyl-3-fluorobenzene
m,α,α,α-Tetrafluorotoluene
m-Fluoro(trifluoromethyl)benzene
3-Fluoro(trifluoromethyl)benzene
m-(Trifluoromethyl)fluorobenzene
NSC 10315
α,α,α,3-Tetrafluorotoluene

Work with Alpha,alpha,alpha,3-Tetrafluorotoluene

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

3,5-Bis(trifluoromethyl)benzene402-31-371 % similar 1-Fluoro-3-(trichloromethyl)benzene401-77-458 % similar 3-Chlorobenzotrifluoride98-15-758 % similar 1-(Trichloromethyl)-3-(trifluoromethyl)benzene16766-90-856 % similar 1-Bromo-3-(trifluoromethyl)benzene401-78-556 % similar 1-Methyl-3-(trifluoromethyl)benzene401-79-656 % similar 1-Iodo-3-(trifluoromethyl)benzene401-81-056 % similar 3,3'-Bis(trifluoromethyl)diphenylmethane86845-35-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Fluorobenzotrifluoride392-85-8 4-Fluorobenzotrifluoride402-44-8 1,2,4,5-Tetrafluoro-3-methylbenzene5230-78-4

Elsewhere

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