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222739

2-Phenylbutyronitrile

Name: 2-Phenylbutyronitrile
Brand: ALDRICH

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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Properties

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

Description

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

GHS07

signalword

Warning

hcodes

H302 + H312 + H332

pcodes

P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312

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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