4-(Trifluoromethyl)styrene
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
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.
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.
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
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
152
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-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) |
