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3-(Methylthio)phenyl isocyanate

3-(Methylthio)phenyl isocyanate structure

CAS No:
28479-19-8
Formula:
C8H7NOS
Chemical Name:
3-(Methylthio)phenyl isocyanate
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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3-(Methylthio)phenyl isocyanate Basic Attributes

Molecular Weight：

165.21200

Exact Mass：

165.21

EC Number：

626-058-2

DSSTox ID：

DTXSID90182708

HScode：

2930909090

Characteristics

PSA：

54.73000

XLogP3：

2.37580

Density：

1.199 g/mL

Boiling Point：

120-121.5 °C @ Press: 10 Torr

Flash Point：

106.9ºC

Refractive Index：

n20/D 1.603(lit.)

Vapor Pressure：

0.0186mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2922 8/PG 2

wgk germany：

hazard class code：

R20/22; R36/37/38; R42

safety instructions：

S23-S26-S36/37/39-S45

Marks：

GHS Classification：

|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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Guide of 3-(Methylthio)phenyl isocyanate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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