4-(Trifluoromethyl)benzonitrile

ALDRICH/196681 - 99%

Synonym: α,α,α-Trifluoro-p-tolunitrile

CAS Number: 455-18-5
Empirical Formula (Hill Notation): C₈H₄F₃N
Molecular Weight: 171.12
EC Number: 207-239-1
MDL Number: MFCD00001826
Linear Formula: CF₃C₆H₄CN
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-196681-5G	5 g	$26.00 1/EA		Add To Favorites
45-196681-25G	25 g	$57.60 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	99%
bp	80-81 °C/20 mmHg (lit.)
density	1.278 g/mL at 25 °C (lit.)
form	solid
InChI	1S/C8H4F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H
InChI key	DRNJIKRLQJRKMM-UHFFFAOYSA-N
mp	39-41 °C (lit.)
Quality Level	100
refractive index	n20/D 1.4583 (lit.)
SMILES string	FC(F)(F)c1ccc(cc1)C#N

General description:	4-(Trifluoromethyl)benzonitrile is a key intermediate in the synthesis of fluvoxamine. It participates in nickel-catalyzed arylcyanation reaction of 4-octyne.
Packaging:	5, 25 g in glass bottle

Symbol	GHS02,GHS07
Signal word	Danger
Hazard statements	H228 - H302 + H312 + H332
Precautionary statements	P210 - P240 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312
Hazard Codes	F,Xn
Risk Statements	11-20/21/22
Safety Statements	36/37
RIDADR	UN1325 - class 4.1 - PG 2 - Flammable solids, organic, n.o.s., H
WGK Germany	WGK 3
Flash Point(F)	161.6 °F - closed cup
Flash Point(C)	72 °C - closed cup

Purity	99%
bp	80-81 °C/20 mmHg (lit.)
mp	39-41 °C (lit.)
Density	1.278 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.4583 (lit.)
UNSPSC	12352100

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