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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

Signal Word

Danger

Hazard Codes

H302,H317,H318

Precautionary Statements

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 (personal protective equipment)

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

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