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2-(TRIFLUOROMETHYL)STYRENE

2-(TRIFLUOROMETHYL)STYRENE

Name: 2-(TRIFLUOROMETHYL)STYRENE
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Molecular Formula:

C9H7F3

Molecular Weight:

172.15

CAS Number:

395-45-9

Catalog Number:

395-45-9

Product Information

Molecular Formula:

C9H7F3

Molecular Weight:

172.15

Description

2-(Trifluoromethyl)styrene, a notable cornerstone in organic synthesis and medicinal chemistry, possesses an exclusive structure facilitating formation of efficacious pharmaceuticals employed in a myriad of disease treatments. Notably, it is often incorporated in the synthesis of Selective Serotonin Reuptake Inhibitors (SSRIs).

Synonyms

1-TRIFLUOROMETHYL-2-VINYL-BENZENE; 2-(TRIFLUOROMETHYL)STYRENE; o-(trifluoromethyl)styrene; 1-Ethenyl-2-(trifluoromethyl)benzene; 1-Vinyl-2-(trifluoromethyl)benzene; Einecs 206-902-2

IUPAC Name

1-ethenyl-2-(trifluoromethyl)benzene

Canonical SMILES

C=CC1=CC=CC=C1C(F)(F)F

InChI

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

InChI Key

VGWWQZSCLBZOGK-UHFFFAOYSA-N

Boiling Point

61°C40 mm Hg(lit.),145.2°C at 760 mmHg

Flash Point

107.6 °CF - closed cup

Purity

95%

Density

1.175

Appearance

COLORLESS LIQUID

Storage

2-8°C

Refractive Index

n20/D 1.47 (lit.)

Safety Information

Hazards

H226 - H315 - H319 - H335

Precautionary Statement

P210 - P302 + P352 - P305 + P351 + P338

Computed Properties

XLogP3

3.6

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

160

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-113307910-A	Synthesis method of fluoropolymer rich in borate and hydroxyl	2021-05-28
CN-112679336-A	Method for synthesizing phenylpropionic acid compound under catalysis of heterogeneous palladium metal	2020-12-29
JP-2022029023-A	Creation of functional composite fine particles using a gradient type polymer surfactant and a liquid drying method in combination	2020-08-04
JP-2022029024-A	Creation of functional composite fine particles using a combination of an end-mixed block-type polymer surfactant and an in-liquid drying method	2020-08-04
JP-2022029025-A	Creation of functional composite fine particles using a polymer surfactant synthesized by precision polymerization and an in-liquid drying method in combination.	2020-08-04
WO-2022013049-A1	Method for fabricating a particle	2020-07-13
WO-2021257518-A1	Fluorosilicone polymers, compositions, and uses thereof	2020-06-15
JP-2021187906-A	Nitrile rubber composition and rubber crosslinked product	2020-05-27
JP-2021155398-A	Inorganic fillers coated with polymer surfactants and medical / dental compositions containing them	2020-03-27
JP-2021155399-A	Inorganic fillers coated with gradient polymer surfactants and medical / dental compositions containing them	2020-03-27

Literatures

PMID	Publication Date	Title	Journal
12606005	2003-02-01	Evaluation of 17alpha-E-(trifluoromethylphenyl)vinyl estradiols as novel estrogen receptor ligands	Steroids

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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