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Structure

3-Methylisocyanatomercaptobenzene

CAS
28479-19-8
Catalog Number
ACM28479198
Category
Other Products
Molecular Weight
165.21
Molecular Formula
C8H7NOS

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Specification

Synonyms
3-Methylthiophenyl isocyanate, 3-(Methylthio)phenyl isocyanate, 478814_ALDRICH, 1-Isocyanato-3-(methylsulfanyl)benzene, 1-isocyanato-3-(methylthio)benzene, ALBB-003045, CID141418, STK502565, ZINC00164949, BBR-009113, 28479-19-8
IUPAC Name
1-isocyanato-3-methylsulfanylbenzene
Canonical SMILES
CSC1=CC=CC(=C1)N=C=O
InChI Key
BKJABLMNBSVKCV-UHFFFAOYSA-N
Boiling Point
130-130ºC (5 torr)
Flash Point
106.9ºC
Density
1.199 g/mL at 25 °C(lit.)
Exact Mass
165.02500
Hazard Statements
Xn:Harmful;
H-Bond Acceptor
2
H-Bond Donor
0
Packing Group
III
Safety Description
S23-S26-S36/37/39-S45
WGK Germany
3
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