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Home >> Chemical Listing >> Page 2931 >> 3-(2,2-dimethylpropanoyl)benzonitrile

3-(2,2-dimethylpropanoyl)benzonitrile
[CAS# 898766-12-6]

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Identification
Name 3-(2,2-dimethylpropanoyl)benzonitrile
Synonyms 3'-Cyano-2,2-dimethylpropiophenone; MFCD03841168
Molecular Structure CAS#: 898766-12-6, 3-(2,2-dimethylpropanoyl)benzonitrile
Molecular Formula C12H13NO
Molecular Weight 187.24
CAS Registry Number 898766-12-6
SMILES N#Cc1cc(ccc1)C(=O)C(C)(C)C
InChI 1S/C12H13NO/c1-12(2,3)11(14)10-6-4-5-9(7-10)8-13/h4-7H,1-3H3
InChIKey MQRPHEGPMUGXGU-UHFFFAOYSA-N
Properties
Density 1.042g/cm3 (Cal.)
Boiling point 298.345°C at 760 mmHg (Cal.)
Flash point 134.234°C (Cal.)
Refractive index 1.519 (Cal.)
Safety Data
Safety Description IRRITANT, FLAMMABLE
SDS Available
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