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Merck
CN

667269

4-Oxo-4-phenylbutanenitrile

97%

Synonym(s):

β-Benzoylpropionitrile, β-Cyanopropiophenone, (γ-Oxo)-benzenebutanenitrile, 2-Cyanoethyl phenyl ketone, 3-Benzoylpropionitrile, 3-Cyano-1-phenylpropan-1-one

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About This Item

Linear Formula:
C6H5C(O)CH2CH2CN
CAS Number:
5343-98-6
Molecular Weight:
159.18
NACRES:
NA.22
PubChem Substance ID:
24884900
UNSPSC Code:
12352100
MDL number:
MFCD00126350
Assay:
97%
Form:
solid

Key Documents

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InChI

1S/C10H9NO/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7H2

SMILES string

O=C(CCC#N)c1ccccc1

InChI key

OSPRTYTUQJCKFF-UHFFFAOYSA-N

assay

97%

form

solid

mp

74-78 °C

functional group

ketone, nitrile, phenyl

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBT9908V
MKBC1731
17503CE

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