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Home >> Chemical Listing >> Page 1382 >> 4-Benzylisothiazole

4-Benzylisothiazole
[CAS# 36412-26-7]

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Identification
Name 4-Benzylisothiazole
Synonyms 4-(Phenylmethyl)Isothiazole; 4-(Benzyl)Isothiazole; Inchi=1/C10h9ns/C1-2-4-9(5-3-1)6-10-7-11-12-8-10/H1-5,7-8H,6H
Molecular Structure CAS#: 36412-26-7, 4-Benzylisothiazole
Molecular Formula C10H9NS
Molecular Weight 175.25
CAS Registry Number 36412-26-7
SMILES C1=CC=CC=C1CC2=CSN=C2
InChI 1S/C10H9NS/c1-2-4-9(5-3-1)6-10-7-11-12-8-10/h1-5,7-8H,6H2
InChIKey YEPBKWKFFVWMDX-UHFFFAOYSA-N
Properties
Density 1.156g/cm3 (Cal.)
Boiling point 203.42°C at 760 mmHg (Cal.)
Flash point 69.529°C (Cal.)
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