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Home >> Chemical Listing >> Page 2035 >> 2-(1,3-Benzothiazol-2-Yl)-3-Oxobutanenitrile

2-(1,3-Benzothiazol-2-Yl)-3-Oxobutanenitrile
[CAS# 62591-16-6]

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Identification
Name 2-(1,3-Benzothiazol-2-Yl)-3-Oxobutanenitrile
Synonyms 2-(benzo[d]thiazol-2-yl)-3-oxobutanenitrile
Molecular Structure CAS#: 62591-16-6, 2-(1,3-Benzothiazol-2-Yl)-3-Oxobutanenitrile
Molecular Formula C11H8N2OS
Molecular Weight 216.26
CAS Registry Number 62591-16-6
SMILES N#CC(c1nc2ccccc2s1)C(=O)C
InChI 1S/C11H8N2OS/c1-7(14)8(6-12)11-13-9-4-2-3-5-10(9)15-11/h2-5,8H,1H3
InChIKey REONXISXQQBQDU-UHFFFAOYSA-N
Properties
Density 1.324g/cm3 (Cal.)
Boiling point 334.712°C at 760 mmHg (Cal.)
Flash point 156.228°C (Cal.)
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