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Merck
CN

292214

3-Acetylbenzonitrile

97%

Synonym(s):

3′-Cyanoacetophenone

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About This Item

Linear Formula:
CH3COC6H4CN
CAS Number:
Molecular Weight:
145.16
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
228-110-6
MDL number:
Technical Service
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assay

97%

mp

98-100 °C (lit.)

SMILES string

CC(=O)c1cccc(c1)C#N

InChI

1S/C9H7NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,1H3

InChI key

SBCFGFDAZCTSRH-UHFFFAOYSA-N

Application

3-Acetylbenzonitrile has been used in the preparation of:
  • 3-(hydroxyacetyl)benzonitrile
  • 3-(1-(3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)-4-methylphenylimino)ethyl)benzonitrile


pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

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, Gloves



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