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3-(Chloroacetyl)benzonitrile
[CAS# 76597-77-8]

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Identification
Name 3-(Chloroacetyl)benzonitrile
Synonyms 3-(2-chloroacetyl)benzonitrile
Molecular Structure CAS#: 76597-77-8, 3-(Chloroacetyl)benzonitrile
Molecular Formula C9H6ClNO
Molecular Weight 179.60
CAS Registry Number 76597-77-8
SMILES N#Cc1cccc(c1)C(=O)CCl
InChI 1S/C9H6ClNO/c10-5-9(12)8-3-1-2-7(4-8)6-11/h1-4H,5H2
InChIKey SIJGQCMRBQTUBC-UHFFFAOYSA-N
Properties
Density 1.269g/cm3 (Cal.)
Boiling point 314.454°C at 760 mmHg (Cal.)
Flash point 143.977°C (Cal.)
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