ChemicalBook Product Catalog Organic Chemistry Organic fluorine compound Fluorobenzonitrile series Trifluoro-p-tolunitrile

Trifluoro-p-tolunitrile

Trifluoro-p-tolunitrile Basic information
Product Name:Trifluoro-p-tolunitrile
Synonyms:PTF-CN;PARA-TRIFLUOROMETHYL-BENZONITRILE;trifluoro-p-tolunitrile;4-CYANOBENZOTRIFLUORIDE;ALPHA,ALPHA,ALPHA-TRIFLUORO-P-TOLUNITRILE;alpha,alpha,alpha-Trifluoro-p-toluonitrile;Benzonitrile, p-(trifluoromethyl)-;p-Cyanobenzotrifluoride
CAS:455-18-5
MF:C8H4F3N
MW:171.12
EINECS:207-239-1
Product Categories:cyanide;Aromatic Nitriles;Drug Intermediates;Benzotrifluoride Series;Fluorine Compounds;Nitriles;Nitrile;bc0001;455-18-5
Mol File:455-18-5.mol
Trifluoro-p-tolunitrile Structure
Trifluoro-p-tolunitrile Chemical Properties
Melting point 39-41 °C(lit.)
Boiling point 80-81 °C20 mm Hg(lit.)
density 1.278 g/mL at 25 °C(lit.)
refractive index n20/D 1.4583(lit.)
Fp 161 °F
storage temp. Sealed in dry,Room Temperature
Water Solubility Insoluble in water
solubility soluble in Chloroform, Methanol
form powder to lump to clear liquid
color White or Colorless to Light yellow
Specific Gravity1.278
Sensitive Lachrymatory
BRN 2046478
InChIKeyDRNJIKRLQJRKMM-UHFFFAOYSA-N
CAS DataBase Reference455-18-5(CAS DataBase Reference)
NIST Chemistry Reference4-Trifluoromethylbenzoic acid nitrile(455-18-5)
EPA Substance Registry SystemBenzonitrile, 4-(trifluoromethyl)- (455-18-5)
Safety Information
Hazard Codes Xn,F
Risk Statements 20/21/22-11
Safety Statements 36/37-45-36
RIDADR UN 1325 4.1/PG 2
WGK Germany 3
Hazard Note Lachrymatory
TSCA T
HazardClass 6.1
PackingGroup III
HS Code 29269095
MSDS Information
ProviderLanguage
4-(Trifluoromethyl)benzonitrile English
SigmaAldrich English
ACROS English
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Trifluoro-p-tolunitrile Usage And Synthesis
Chemical Propertieswhite to light yellow crystal powder
Uses4-(Trifluoromethyl)benzonitrile is used in the synthesis of quinazolines for amidines. Also used in the synthesis of s-transferase p1-1 and cancer cell proliferation.
General Description4-(Trifluoromethyl)benzonitrile is a key intermediate in the synthesis of fluvoxamine. It participates in nickel-catalyzed arylcyanation reaction of 4-octyne.
Trifluoro-p-tolunitrile Preparation Products And Raw materials
Preparation Products4-(TRIFLUOROMETHYL)-2-(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)BENZONITRILE-->5-Methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone-->4-(Difluoromethyl)benzonitrile-->N'-hydroxy-4-(trifluoromethyl)benzenecarboximidamide-->1-METHYL-1-(4-TRIFLUOROMETHYLPHENYL)ETHYLAMINE-->4-fluoro-4'-(trifluoromethyl)benzophenone-->4-Methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one
1-[(AMMONIOOXY)METHYL]-4-(TRIFLUOROMETHYL)BENZENE CHLORIDE 4-(Trifluoromethylthio)phenol 4-Trifluoromethylphenol 4'-(Trifluoromethyl)acetophenone TRIMETHYL PHLOROGLUCINOL 3-(Trifluoromethyl)benzaldehyde 2-(Trifluoromethyl)benzoic acid Trifluoro-p-tolunitrile 2,3-DIFLUORO-4-(TRIFLUOROMETHYL)BENZONITRILE Trifluoromethyl 2,5-DIFLUORO-4-(TRIFLUOROMETHYL)BENZONITRILE Benzeneacetonitrile THREE METHYL BENZENE 4-Trifluoromethylphenylboronic acid 3,5-DIFLUORO-4-(TRIFLUOROMETHYL)BENZONITRILE p-Tolunitrile 2-(Trifluoromethyl)benzaldehyde alpha,alpha,alpha-Trifluoro-o-toluoyl chloride
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