ChemicalBook--->CAS DataBase List--->455-18-5

455-18-5

455-18-5 Structure

455-18-5 Structure
IdentificationMore
[Name]

Trifluoro-p-tolunitrile
[CAS]

455-18-5
[Synonyms]

4-CYANOBENZOTRIFLUORIDE
4-(TRIFLUOROMETHYL)BENZONITRILE
ALPHA,ALPHA,ALPHA-TRIFLUORO-P-TOLUNITRILE
PARA-TRIFLUOROMETHYL-BENZONITRILE
PTF-CN
P-TRIFLUOROMETHYLBENZONITRILE
trifluoro-p-tolunitrile
4-(trifluoromethyl)-benzonitril
alpha,alpha,alpha-Trifluoro-p-toluonitrile
Benzonitrile, 4-(trifluoromethyl)-
Benzonitrile, p-(trifluoromethyl)-
p-Cyanobenzotrifluoride
p-Tolunitrile, alpha,alpha,alpha-trifluoro-
4-Cyanobenzotrifloride
alpha,alpha,alpha-trifluoro-4-toluonitrile
4-(TRIFLUOROMETHYL)-PHENYL CYANIDE
à,à,à-trifluoro-p-tolunitrile
4-(Trifluoromethyl)benzonitrile98%
alpha,alpha,alpha-Trifluor-4-toluonitril
p-trifluoromethylbenonitrile
[EINECS(EC#)]

207-239-1
[Molecular Formula]

C8H4F3N
[MDL Number]

MFCD00001826
[Molecular Weight]

171.12
[MOL File]

455-18-5.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[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
[solubility ]

soluble in Chloroform, Methanol
[Water Solubility ]

Insoluble in water
[form ]

powder to lump to clear liquid
[color ]

White or Colorless to Light yellow
[Specific Gravity]

1.278
[Sensitive ]

Lachrymatory
[BRN ]

2046478
[InChIKey]

DRNJIKRLQJRKMM-UHFFFAOYSA-N
[CAS DataBase Reference]

455-18-5(CAS DataBase Reference)
[NIST Chemistry Reference]

4-Trifluoromethylbenzoic acid nitrile(455-18-5)
[EPA Substance Registry System]

455-18-5(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 1325 4.1/PG 2
[WGK Germany ]

3
[Hazard Note ]

Lachrymatory
[TSCA ]

T
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269095
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

4-(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
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-(Trifluoromethyl)benzonitrile(455-18-5).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Uses]

4-(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 Description]

4-(Trifluoromethyl)benzonitrile is a key intermediate in the synthesis of fluvoxamine. It participates in nickel-catalyzed arylcyanation reaction of 4-octyne.
Spectrum DetailBack Directory
[Spectrum Detail]

Trifluoro-p-tolunitrile(455-18-5)MS
Trifluoro-p-tolunitrile(455-18-5)1HNMR
Trifluoro-p-tolunitrile(455-18-5)IR1
Trifluoro-p-tolunitrile(455-18-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

alpha,alpha,alpha-Trifluoro-p-tolunitrile, 99%(455-18-5)
[Alfa Aesar]

4-(Trifluoromethyl)benzonitrile, 98%(455-18-5)
[Sigma Aldrich]

455-18-5(sigmaaldrich)
[TCI AMERICA]

4-(Trifluoromethyl)benzonitrile,>98.0%(GC)(455-18-5)
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