3-(Trifluoromethyl)styrene
Product Information
Molecular Formula
C9H7F3
Molecular Weight
172.15
Description
Applications: 3-(Trifluoromethyl)styrene is a useful research chemical.
Synonyms
Benzene, 1-(trifluoromethyl)-3-(ethenyl)-; 3-(TRIFLUOROMETHYL)STYRENE; 3-(Trifluoromethyl)styrene, stabilized; 3-(TRIFLUOROMETHYL)STYRENE, 98% MIN.; M-TRIFLUOROMETHYLSTYRENE; 3-(Trifluoromethyl)styrene, 97+%, stabilised
IUPAC Name
1-ethenyl-3-(trifluoromethyl)benzene
SMILES
C=CC1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C9H7F3/c1-2-7-4-3-5-8(6-7)9(10,11)12/h2-6H,1H2
InChI Key
ARHOUOIHKWELMD-UHFFFAOYSA-N
Boiling Point
64.5°C (40 mmHg)
Flash Point
107.6 °CF - closed cup
Purity
95%
Density
1.161
Appearance
Colorless to Almost colorless clear liquid
Storage
Refrigerator (+4°C) + Flammables area
Refractive Index
n20/D 1.465 (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
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-114106814-A | Quantum dot photoluminescent film, preparation method thereof and display device | 2021-11-23 |
| CN-114029016-A | Styrene self-polymerization prevention device and process | 2021-11-12 |
| CN-113773676-A | Super-hardness inorganic polymer steel bar anticorrosive paint and preparation method and application thereof | 2021-09-29 |
| CN-113756106-A | Waterproof and corrosion-resistant polypropylene fabric and preparation process thereof | 2021-09-28 |
| CN-113894029-A | Antibacterial coating process | 2021-09-24 |
| CN-215801519-U | Riverbed soil body horizontal displacement monitoring devices based on water pressure difference | 2021-08-06 |
| CN-113441021-A | Temperature-controllable rubber dissolving tank | 2021-08-02 |
| CN-214528823-U | Polymer asphalt self-adhesive waterproof coiled material | 2021-04-14 |
| CN-112898851-A | Single-component water-based transparent antirust coating and preparation method thereof | 2021-03-30 |
| CN-113121388-A | Cinacalcet intermediate and synthetic method of cinacalcet hydrochloride | 2021-03-29 |
