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About This Item
Linear Formula:
C6H5CH(OH)CH2CN
CAS Number:
Molecular Weight:
147.17
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
form
solid
refractive index
n20/D 1.5420 (lit.)
bp
306-307 °C (lit.)
density
1.112 g/mL at 25 °C (lit.)
SMILES string
OC(CC#N)c1ccccc1
InChI
1S/C9H9NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6H2
InChI key
HILDHWAXSORHRZ-UHFFFAOYSA-N
General description
3-Hydroxy-3-phenylpropionitrile, a β-hydroxynitrile, is an aryl substituted α-aminophenylaceronitrile. It can be obtained by reacting lithioacetonitrile with benzaldehyde via asymmetric 1,2-addition reaction.
Application
Reactant for:
- Hydrolysis by cyanobacterium nitrilase in catalytic preparation of carboxylic acid
- Biotransformation to amide using nitrile hydratase from Rhodococcus erythropolis A4
- Direct catalytic aldol-type reactions
Storage Class Code
13 - Non Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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