4-Cyanophenylacetic acid

ALDRICH/633453 - 97%

CAS Number: 5462-71-5
Empirical Formula (Hill Notation): C₉H₇NO₂
Molecular Weight: 161.16
EC Number: 226-753-7
MDL Number: MFCD06798066
Linear Formula: C₉H₇NO₂
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-633453-1G	1 g	$102.00 1/EA	Add To Favorites
45-633453-5G	5 g	$505.00 1/EA	Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	97%
form	solid
functional group	carboxylic acid
	nitrile
InChI	1S/C9H7NO2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5H2,(H,11,12)
InChI key	WEBXRQONNWEETE-UHFFFAOYSA-N
mp	150-154 °C (lit.)
Quality Level	100
SMILES string	OC(=O)Cc1ccc(cc1)C#N

Application:

4-Cyanophenylacetic acid can be used as a nitrile precursor to synthesize 1,2,4,5-tetrazines by reacting with aliphatic nitriles and hydrazine in the presence of Lewis acid metal catalysts.
It can also be used as a reactant to prepare:
• 4-pyrrolo[1,2-a]quinoxalin-4-ylbenzonitrile by copper-catalyzed reaction with 1-(2-aminoaryl)pyrrole in the presence of 2,2′-bipyridyl as the ligand.
• 4-(1,2-Diphenyl-1H-imidazol-4-yl)benzonitrile by one-pot three-component reaction with N-phenylbenzamidine and nitromethane via activation of C-H and N-H bonds.
• 4-Cyano-N,N-di-2-propen-1-ylbenzeneacetamide by reacting with diallylamine.

Packaging:

1, 5 g in glass bottle

Symbol	GHS07
Signal word	Warning
Hazard statements	H302 - H315 - H319
Precautionary statements	P301 + P312 + P330 - P302 + P352 - P305 + P351 + P338
Hazard Codes	Xn
Risk Statements	22-36/38
Safety Statements	26
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3

Purity	97%
mp	150-154 °C (lit.)
UNSPSC	12352100

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