Key Documents

View All Documentation

209805

3-(1-Cyanoethyl)benzoic acid

Name: 3-(1-Cyanoethyl)benzoic acid
Brand: ALDRICH

98%

Select a Size

Change View

About This Item

Linear Formula:

CH₃CH(CN)C₆H₄CO₂H

CAS Number:

5537-71-3

Molecular Weight:

175.18

NACRES:

NA.22

PubChem Substance ID:

24852594

UNSPSC Code:

12352100

EC Number:

226-897-0

MDL number:

MFCD00002520

Assay:

98%

Technical Service

Need help? Our team of experienced scientists is here for you.

Let Us Assist

Properties

assay

98%

mp

145-148 °C (lit.)

functional group

carboxylic acid, nitrile

SMILES string

CC(C#N)c1cccc(c1)C(O)=O

InChI

1S/C10H9NO2/c1-7(6-11)8-3-2-4-9(5-8)10(12)13/h2-5,7H,1H3,(H,12,13)

InChI key

IRYIYPWRXROPSX-UHFFFAOYSA-N

Description

Application

3-(1-Cyanoethyl)benzoic acid was used in screening of cobalt containing nitrile hydratases for their enantioselectivity towards wide range of chiral nitriles.

Still not finding the right product?

Explore all of our products under 3-(1-Cyanoethyl)benzoic acid

pictograms

GHS05,GHS07

signalword

Danger

hcodes

H302,H317,H318

pcodes

P280 - P305 + P351 + P338

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Skin Sens. 1

Storage Class

11 - Combustible Solids

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

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

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number

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