CAS 455-18-5|4-(Trifluoromethyl)benzonitrile

Introduction：Basic information about CAS 455-18-5|4-(Trifluoromethyl)benzonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Safety Information
4. Customs
5. Articles2
6. Synonyms

Common Name	4-(Trifluoromethyl)benzonitrile
CAS Number	455-18-5	Molecular Weight	171.119
Density	1.3±0.1 g/cm3	Boiling Point	183.2±0.0 °C at 760 mmHg
Molecular Formula	C₈H₄F₃N	Melting Point	39-41 °C(lit.)
MSDS	ChineseUSA	Flash Point	71.7±0.0 °C
Symbol	GHS02, GHS07	Signal Word	Danger

Names

Name	4-(Trifluoromethyl)benzonitrile
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.3±0.1 g/cm3
Boiling Point	183.2±0.0 °C at 760 mmHg
Melting Point	39-41 °C(lit.)
Molecular Formula	C₈H₄F₃N
Molecular Weight	171.119
Flash Point	71.7±0.0 °C
Exact Mass	171.029587
PSA	23.79000
LogP	2.63
Vapour Pressure	0.8±0.3 mmHg at 25°C
Index of Refraction	1.461
InChIKey	DRNJIKRLQJRKMM-UHFFFAOYSA-N
SMILES	N#Cc1ccc(C(F)(F)F)cc1

Safety Information

Symbol	GHS02, GHS07
Signal Word	Danger
Hazard Statements	H228-H302 + H312 + H332
Precautionary Statements	P210-P280
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xn:Harmful
Risk Phrases	R20/21/22
Safety Phrases	S36/37-S45
RIDADR	UN 1325 4.1/PG 2
WGK Germany	3
Packaging Group	III
Hazard Class	6.1
HS Code	29269095

Customs

HS Code	2926909090
Summary	HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles2

Nickel-catalyzed carbocyanation of alkynes with allyl cyanides.

J. Am. Chem. Soc. 131 , 10964, (2009)

Allyl cyanides are found to add across alkynes in the presence of a nickel/P(4-CF(3)-C(6)H(4))(3) catalyst to give polysubstituted 2,5-hexadienenitriles with defined stereo- and regiochemistry. Use of...

Improving palladium-catalyzed cyanation of aryl halides: development of a state-of-the-art methodology using potassium hexacyanoferrate (II) as cyanating agent. Schareina T, et al.

J. Organomet. Chem. 689(24) , 4576-83, (2004)

Synonyms

MFCD00001826

4-(Trifluoromethyl)benzonitrile

4-Cyanobenzotrifluoride

p-Tolunitrile, α,α, α-trifluoro-

NCR DXFFF

Trifluoro-p-tolunitrile

p-Cyanobenzotrifluoride

Benzonitrile, 4-(trifluoromethyl)-

α,α,α-Trifluoro-p-tolunitrile

EINECS 207-239-1

p-(Trifluoromethyl)benzonitrile

Alpha,Alpha,Alpha-Trifluoro-p-Tolunitrile

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