4-(Trifluoromethyl)styrene

Inquiry

Molecular Formula:

C9H7F3

Molecular Weight:

172.15

CAS Number:

402-50-6

Catalog Number:

402-50-6

Product Information

Molecular Formula:

C9H7F3

Molecular Weight:

172.15

Description

4-(Trifluoromethyl)styrene is a versatile compound within the biomedical industry and showcases its significance as a vital component for the synthesis of pharmaceutical drugs. Through its unique chemical structure, it becomes an optimal precursor for the production of targeted treatments against cancer, inflammation, and cardiovascular diseases. Ensuring its availability and versatility, this compound plays a pivotal role in the advancement of therapeutic solutions for various ailments.

Synonyms

4-VINYLBENZOTRIFLUORIDE; 4-(TRIFLUOROMETHYL)STYRENE

IUPAC Name

1-ethenyl-4-(trifluoromethyl)benzene

Canonical SMILES

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

InChI

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

InChI Key

CEWDRCQPGANDRS-UHFFFAOYSA-N

Boiling Point

65-66°C (40 mmHg)

Flash Point

107.6 °CF - closed cup

Purity

95%

Density

1.165

Appearance

Colorless liquid

Storage

2-8°C

Refractive Index

n20/D 1.466 (lit.)

Safety Information

Hazards

H226:
Flammable liquid and vapour.

Precautionary Statement

P210:
Keep away from heat, sparks, open flames, hot surfaces. No smoking.
P233:
Keep container tightly closed.
P303+P361+P353:
IF ON SKIN (or hair):
Take off immediately all contaminated clothing. [As modified by IV ATP].
Rinse skin with water/shower.
P370+P378:
In case of fire:
Use for extinction:
P403+P235:
Store in a well ventilated place.
Keep cool.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3

3.7

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

172.04998471 g/mol

Monoisotopic Mass

172.04998471 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

152

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-113862708-A	Method for electrochemically synthesizing beta-cyano-bis-phenylsulfonyl imide compound	2021-11-03
CN-113880873-A	Hydroboration reaction method for catalyzing olefin by calcium halide	2021-10-25
CN-113717209-A	Synthesis method of alkyl silicon compound	2021-10-12
CN-113860984-A	Magnesium-activated ligand-promoted chromium-catalyzed polycyclic aromatic hydrocarbon and olefin regioselective hydrogenation method	2021-10-09
CN-113603719-A	Difluoroalkyl substituted sulfur phosphate compound and preparation method thereof	2021-08-16
CN-113582915-A	Synthesis method of 4-substituted pyridine compound	2021-07-25
CN-113548936-A	Aroyldifluoromethyl olefin and preparation method thereof	2021-07-13
CN-113429272-A	Aryl aldehyde ketone and synthetic method thereof	2021-06-21
CN-113307749-A	Method for synthesizing beta-ketosulfone derivative under mild condition and obtained beta-ketosulfone derivative	2021-05-26
CN-113403636-A	Synthetic method of alpha, beta-dichlorobenzene sulfoxide compound	2021-05-26

Literatures

PMID	Publication Date	Title	Journal
20645346	2010-08-23	Lithiated fluorinated styrene oxides: configurational stability, synthetic applications, and mechanistic insight	Chemistry (Weinheim an der Bergstrasse, Germany)

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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