222739
2-Phenylbutyronitrile
95%
Synonym(s):
α-Ethylphenylacetonitrile
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About This Item
Linear Formula:
C6H5CH(CH2CH3)CN
CAS Number:
Molecular Weight:
145.20
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
212-213-8
MDL number:
Assay:
95%
InChI key
IZPUPXNVRNBDSW-UHFFFAOYSA-N
InChI
1S/C10H11N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9H,2H2,1H3
SMILES string
CCC(C#N)c1ccccc1
assay
95%
refractive index
n20/D 1.5086 (lit.)
bp
114-115 °C/15 mmHg (lit.)
density
0.974 g/mL at 25 °C (lit.)
functional group
nitrile, phenyl
Quality Level
Related Categories
Application
2-Phenylbutyronitrile was used in the preparation of Michael-adducts. It was also used in the preparation of S-amides by nitrile hydratase.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
221.0 °F - closed cup
flash_point_c
105 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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t-BuOK-Catalyzed addition of ketones and nitriles to vinylic silanes, phosphines and thio derivatives.
Bunlaksananusorn T, et al.
Chemical Communications (Cambridge, England), 8, 745-746 (2001)
Enantioselective nitrile hydratases and amidases from different bacterial isolates.
Journal of Molecular Catalysis. B, Enzymatic, 5(1), 137-141 (1998)
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