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222739

2-Phenylbutyronitrile

95%

Synonym(s):

α-Ethylphenylacetonitrile

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About This Item

Linear Formula:
C6H5CH(CH2CH3)CN
CAS Number:
769-68-6
Molecular Weight:
145.20
NACRES:
NA.22
PubChem Substance ID:
24853353
UNSPSC Code:
12352100
EC Number:
212-213-8
MDL number:
MFCD00001876
Assay:
95%
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Quality Level

100

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

SMILES string

CCC(C#N)c1ccccc1

InChI

1S/C10H11N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9H,2H2,1H3

InChI key

IZPUPXNVRNBDSW-UHFFFAOYSA-N

Application

2-Phenylbutyronitrile was used in the preparation of Michael-adducts. It was also used in the preparation of S-amides by nitrile hydratase.

pictograms

Exclamation mark
GHS07

signalword

Warning

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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Certificates of Analysis (COA)

Lot/Batch Number
10930JY
09402HN
07427LG
05629AQ
16527LN

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Enantioselective nitrile hydratases and amidases from different bacterial isolates.
Journal of Molecular Catalysis. B, Enzymatic, 5(1), 137-141 (1998)
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)

Global Trade Item Number

SKUGTIN
222739-10G04061836817923