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209805

3-(1-Cyanoethyl)benzoic acid

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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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

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

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

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

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