633453
4-Cyanophenylacetic acid
97%
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About This Item
Empirical Formula (Hill Notation):
C9H7NO2
CAS Number:
Molecular Weight:
161.16
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
226-753-7
MDL number:
Assay:
97%
Form:
solid
Quality Segment
assay
97%
form
solid
mp
150-154 °C (lit.)
functional group
carboxylic acid, nitrile
SMILES string
OC(=O)Cc1ccc(cc1)C#N
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
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:
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.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2
Storage Class
11 - Combustible Solids
wgk
WGK 3
ppe
dust mask type N95 (US), Eyeshields, Gloves
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