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640662

Sigma-Aldrich

3-Cyanophenylacetic acid

95%

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About This Item

Empirical Formula (Hill Notation):
C9H7NO2
CAS Number:
1878-71-3
Molecular Weight:
161.16
MDL number:
MFCD06411079
UNSPSC Code:
12352100
PubChem Substance ID:
24882657
NACRES:
NA.22

Quality Level

100

assay

95%

form

solid

mp

113-117 °C (lit.)

functional group

carboxylic acid
nitrile

SMILES string

OC(=O)Cc1cccc(c1)C#N

InChI

1S/C9H7NO2/c10-6-8-3-1-2-7(4-8)5-9(11)12/h1-4H,5H2,(H,11,12)

InChI key

ZNXMNKGBHYVNNE-UHFFFAOYSA-N

Related Categories

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302,H317

Hazard Classifications

Acute Tox. 4 Oral - Skin Sens. 1

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
STBC3904V
STBC0367V
S78942
S78942V
01223AJ

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