o-(Trifluoromethyl)styrene

C₉H₇F₃CAS 395-45-9172.15 g/mol

Open in Covalent MOL file

Alkene Alkyl halide

Properties

Molecular formula: C₉H₇F₃
Molar mass: 172.15 g/mol
Exact mass: 172.0500 Da
logP: 3.35Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 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

395-45-9

SMILES

C=Cc1ccccc1C(F)(F)F

InChIKey

VGWWQZSCLBZOGK-UHFFFAOYSA-N

InChI

InChI=1S/C9H7F3/c1-2-7-5-3-4-6-8(7)9(10,11)12/h2-6H,1H2

Weigh it out

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

Names and synonyms

6 names

1-Ethenyl-2-(trifluoromethyl)benzene
Benzene, 1-ethenyl-2-(trifluoromethyl)-
Styrene, o-(trifluoromethyl)-
2-(Trifluoromethyl)styrene
o-Trifluoromethylstyrene
1-(Trifluoromethyl)-2-vinylbenzene

Work with o-(Trifluoromethyl)styrene

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-(Trifluoromethyl)benzaldehyde447-61-059 % similar 1,2-Bis(trifluoromethyl)benzene433-95-454 % similar 1-Methyl-2-(trifluoromethyl)benzene13630-19-848 % similar 1-Ethenyl-2-fluorobenzene394-46-748 % similar 3-[2-(Trifluoromethyl)phenyl]-2-propenoic acid2062-25-146 % similar 2-Bromostyrene2039-88-545 % similar 1-Bromo-2-(trifluoromethyl)benzene392-83-645 % similar 2-Fluorobenzotrifluoride392-85-845 % similar

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

Same formula

1-Ethenyl-4-(trifluoromethyl)benzene402-50-6

Elsewhere

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