1-Ethenyl-4-(trifluoromethyl)benzene

C₉H₇F₃CAS 402-50-6172.15 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 irritation95.3% of notifiers
H319 Causes serious eye irritation95.3% of notifiers
H335 May cause respiratory irritation95.3% of notifiers

Aggregated from 43 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

402-50-6

SMILES

C=CC1=CC=C(C=C1)C(F)(F)F

InChIKey

CEWDRCQPGANDRS-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

4-(Trifluoromethyl)styrene

Work with 1-Ethenyl-4-(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

Same formula

o-(Trifluoromethyl)styrene395-45-9

Elsewhere

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