3-(Methylthio)phenyl isocyanate
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3-(Methylthio)phenyl isocyanate
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CAS No:
28479-19-8
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Formula:
C8H7NOS
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Chemical Name:
3-(Methylthio)phenyl isocyanate
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Synonyms:
Benzene,1-isocyanato-3-(methylthio)-;Isocyanic acid,m-(methylthio)phenyl ester;1-Isocyanato-3-(methylthio)benzene;m-(Methylthio)phenyl isocyanate;3-(Methylthio)phenyl isocyanate;3-(Methylmercapto)phenyl isocyanate;1-Isocyanato-3-(methylsulfanyl)benzene;3-(Methylsulfanyl)phenylisocyanate
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CAS No:
3-(Methylthio)phenyl isocyanate Basic Attributes
165.21200
165.21
626-058-2
DTXSID90182708
2930909090
Characteristics
54.73000
2.37580
1.199 g/mL
120-121.5 °C @ Press: 10 Torr
106.9ºC
n20/D 1.603(lit.)
0.0186mmHg at 25°C
Safety Information
III
6.1
UN 2922 8/PG 2
3
R20/22; R36/37/38; R42
S23-S26-S36/37/39-S45
Xn
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:165.21
XLogP3:3.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:165.02483502
Monoisotopic Mass:165.02483502
Topological Polar Surface Area:54.7
Heavy Atom Count:11
Complexity:166
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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