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Home >> Chemical Listing >> Page 944 >> 4-(1,3-Butadiyn-1-Yl)Benzonitrile

4-(1,3-Butadiyn-1-Yl)Benzonitrile
[CAS# 221641-62-9]

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Identification
Name 4-(1,3-Butadiyn-1-Yl)Benzonitrile
Synonyms 4-(buta-1,3-diyn-1-yl)benzonitrile
Molecular Structure CAS#: 221641-62-9, 4-(1,3-Butadiyn-1-Yl)Benzonitrile
Molecular Formula C11H5N
Molecular Weight 151.16
CAS Registry Number 221641-62-9
SMILES C#CC#Cc1ccc(cc1)C#N
InChI 1S/C11H5N/c1-2-3-4-10-5-7-11(9-12)8-6-10/h1,5-8H
InChIKey TUHJNNIVBQWGLS-UHFFFAOYSA-N
Properties
Density 1.129g/cm3 (Cal.)
Boiling point 270.79°C at 760 mmHg (Cal.)
Flash point 117.75°C (Cal.)
Refractive index 1.598 (Cal.)
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