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
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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
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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.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral - Eye Dam. 1 - Skin Sens. 1
Storage Class Code
11 - Combustible Solids
WGK
WGK 1
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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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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