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4-Hexylbenzonitrile
[CAS# 29147-95-3]

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Identification
Name 4-Hexylbenzonitrile
Synonyms 4-hexylbenzenecarbonitrile; 4-N-HEXYLBENZONITRILE
Molecular Structure CAS#: 29147-95-3, 4-Hexylbenzonitrile
Molecular Formula C13H17N
Molecular Weight 187.28
CAS Registry Number 29147-95-3
SMILES N#Cc1ccc(CCCCCC)cc1
InChI 1S/C13H17N/c1-2-3-4-5-6-12-7-9-13(11-14)10-8-12/h7-10H,2-6H2,1H3
InChIKey QLSILVVVEOHLOG-UHFFFAOYSA-N
Properties
Density 0.943g/cm3 (Cal.)
Boiling point 295.793°C at 760 mmHg (Cal.)
Flash point 133.074°C (Cal.)
Refractive index 1.507 (Cal.)
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