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4-(2-Thienylmethyl)Benzonitrile
[CAS# 100005-79-6]

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Identification
Name 4-(2-Thienylmethyl)Benzonitrile
Synonyms 4-(2-thienylmethyl)benzenecarbonitrile
Molecular Structure CAS#: 100005-79-6, 4-(2-Thienylmethyl)Benzonitrile
Molecular Formula C12H9NS
Molecular Weight 199.27
CAS Registry Number 100005-79-6
SMILES c1cc(sc1)Cc2ccc(cc2)C#N
InChI 1S/C12H9NS/c13-9-11-5-3-10(4-6-11)8-12-2-1-7-14-12/h1-7H,8H2
InChIKey UOUAHMYNBFMCHY-UHFFFAOYSA-N
Properties
Density 1.195g/cm3 (Cal.)
Boiling point 339.248°C at 760 mmHg (Cal.)
Flash point 158.972°C (Cal.)
Refractive index 1.622 (Cal.)
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