2-(TRIFLUOROMETHYL)STYRENE

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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
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
172.04998471 g/mol
Monoisotopic Mass
172.04998471 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
160
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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
The molarity calculator equation

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

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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