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98-08-8

98-08-8 structural image
Product Name: Benzotrifluoride
Formula: C7H5F3
Synonyms: Benzotrifluoride
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Benzotrifluoride appears as a clear colorless liquid with an aromatic odor. Flash point of 54 °F. Vapors are heavier than air. Insoluble in water and slightly denser than water. May be toxic by inhalation.
Color/Form WATER WHITE LIQUID
Odor AROMATIC ODOR
Boiling Point 208 to 210 °F at 760 mmHg (NTP, 1992)
Melting Point -20.4 °F (NTP, 1992)
Flash Point 54 °F (NTP, 1992)
Solubility less than 1 mg/mL at 70 °F (NTP, 1992)
Density 1.1812 at 77 °F (NTP, 1992) - Denser than water; will sink
Vapor Density 5.04 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 11 mmHg at 32 °F (NTP, 1992)
Decomposition Decomposition may release hydrogen fluoride.
Refractive Index INDEX OF REFRACTION: 1.41486 @ 13.3 °C/D
Kovats Retention Index 696 696.8 700
Other Experimental Properties Liquid molar volume = 0.124041 cu m/kmol
Chemical Classes Other Classes -> Halogenated Monoaromatics

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H225:Flammable liquids
H304:Aspiration hazard
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H340:Germ cell mutagenicity
H350:Carcinogenicity
H372:Specific target organ toxicity, repeated exposure
H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P273:Avoid release to the environment.
P331:Do NOT induce vomiting.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 146.11 g/mol
XLogP3 3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 146.03433465 g/mol
Monoisotopic Mass 146.03433465 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 99.9
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

PRODUCT INTRODUCTION

description

Benzotrifluoride appears as a clear colorless liquid with an aromatic odor. Flash point of 54 °F. Vapors are heavier than air. Insoluble in water and slightly denser than water. May be toxic by inhalation.

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