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Structure

4-Benzylisothiazole 98

CAS
36412-26-7
Catalog Number
ACM36412267
Category
Other Products
Molecular Weight
175.25016
Molecular Formula
C10H9NS

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Specification

Synonyms
Isothiazole,4-(phenylmethyl)-, CID142078, InChI=1/C10H9NS/c1-2-4-9(5-3-1)6-10-7-11-12-8-10/h1-5,7-8H,6H, 36412-26-7
IUPAC Name
4-benzyl-1,2-thiazole
Canonical SMILES
C1=CC=C(C=C1)CC2=CSN=C2
InChI Key
YEPBKWKFFVWMDX-UHFFFAOYSA-N
Boiling Point
203.4ºC at 760mmHg
Flash Point
69.5ºC
Density
1.157
Exact Mass
175.04600
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
1
H-Bond Donor
0
Safety Description
26-37/39
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