209805
3-(1-Cyanoethyl)benzoic acid
98%
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About This Item
Linear Formula:
CH3CH(CN)C6H4CO2H
CAS Number:
Molecular Weight:
175.18
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
226-897-0
MDL number:
Assay:
98%
InChI key
IRYIYPWRXROPSX-UHFFFAOYSA-N
InChI
1S/C10H9NO2/c1-7(6-11)8-3-2-4-9(5-8)10(12)13/h2-5,7H,1H3,(H,12,13)
SMILES string
CC(C#N)c1cccc(c1)C(O)=O
assay
98%
mp
145-148 °C (lit.)
functional group
carboxylic acid, nitrile
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Application
3-(1-Cyanoethyl)benzoic acid was used in screening of cobalt containing nitrile hydratases for their enantioselectivity towards wide range of chiral nitriles.
signalword
Danger
hcodes
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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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
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