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4-(Methylthio)phenyl isocyanate

4-(Methylthio)phenyl isocyanate structure

CAS No:
1632-84-4
Formula:
C8H7NOS
Chemical Name:
4-(Methylthio)phenyl isocyanate
Synonyms:
Benzene,1-isocyanato-4-(methylthio)-;Isocyanic acid,p-(methylthio)phenyl ester;Sulfide,p-isocyanatophenyl methyl;1-Isocyanato-4-(methylthio)benzene;4-(Methylthio)phenyl isocyanate;p-(Methylthio)phenyl isocyanate;(4-Methylsulfanylphenyl)isocyanate;1-Isocyanato-4-methylsulfanylbenzene
Categories:
Chemical Reagents > Organic Reagents

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Description

clear yellow to orange liquid

4-(Methylthio)phenyl isocyanate Basic Attributes

Molecular Weight：

165.21

Exact Mass：

165.21

BRN：

1936612

EC Number：

-0

DSSTox ID：

DTXSID20369843

HScode：

29309099

Characteristics

PSA：

54.7

XLogP3：

2.37580

Density：

1.176 g/mL at 25 °C(lit.)

Boiling Point：

117-118 °C @ Press: 8 Torr

Flash Point：

220 °F

Refractive Index：

n 20/D 1.606(lit.)

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2206 6.1/PG 3

wgk germany：

hazard class code：

20/21/22-37/38-41-42

safety instructions：

23-26-36/37/39-45

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P342+P311, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

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, P310, P312, P321, P322, P330, P332+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 2 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:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(Methylthio)phenyl isocyanate

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
Learn More Other Chemicals

4-(Methylthio)phenyl isocyanate

SDS

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