Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

640662

Sigma-Aldrich

3-Cyanophenylacetic acid

95%

Sign Into View Organizational & Contract Pricing

Select a Size

All Photos(1)

Select a Size

Change View

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

Signal Word

Warning

Hazard Statements

H302,H317

Hazard Classifications

Acute Tox. 4 Oral - Skin Sens. 1

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
STBC3904V
STBC0367V
S78942
S78942V
01223AJ

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service