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209805

3-(1-Cyanoethyl)benzoic acid

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

98%

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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%

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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.

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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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number

21598MJ

06509JH

05415TI

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Probing the enantioselectivity of a diverse group of purified cobalt-centred nitrile hydratases.

S van Pelt et al.

Organic & biomolecular chemistry, 9(8), 3011-3019 (2011-03-08)

In this study a diverse range of purified cobalt containing nitrile hydratases (NHases, EC 4.2.1.84) from Rhodopseudomonas palustris HaA2 (HaA2), Rhodopseudomonas palustris CGA009 (009), Sinorhizobium meliloti 1021 (1021), and Nitriliruptor alkaliphilus (iso2), were screened for the first time for their

Global Trade Item Number

SKU	GTIN
209805-5G	04061831819083