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3-(Trifluoromethyl)styrene

3-(Trifluoromethyl)styrene

Name: 3-(Trifluoromethyl)styrene
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Molecular Formula:

C9H7F3

Molecular Weight:

172.15

CAS Number:

402-24-4

Catalog Number:

402-24-4

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

Canonical 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.

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

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

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