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p-Tolyl isothiocyanate

p-Tolyl isothiocyanate structure

CAS No:
622-59-3
Formula:
C8H7NS
Chemical Name:
p-Tolyl isothiocyanate
Synonyms:
Benzene,1-isothiocyanato-4-methyl-;Isothiocyanic acid,p-tolyl ester;1-Isothiocyanato-4-methylbenzene;p-Tolyl isothiocyanate;4-Methylphenyl isothiocyanate;p-Methylphenyl isothiocyanate;4-Tolyl isothiocyanate;1623724-53-7;1869985-71-6;2124236-46-8
Categories:
Chemical Reagents > Organic Reagents

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Description

clear light yellow liquid after melting

p-Tolyl isothiocyanate Basic Attributes

Molecular Weight：

149.21

Exact Mass：

149.21

BRN：

386032

EC Number：

210-745-5

UNII：

43U6A59KGV

DSSTox ID：

DTXSID50211240

HScode：

2930909090

Characteristics

PSA：

44.4

XLogP3：

2.72930

Appearance：

White to yellow Solid

Density：

1.02 g/cm3

Melting Point：

25-26 °C

Boiling Point：

237 °C

Flash Point：

107 °C

Refractive Index：

n20/D 1.6345(lit.)

Water Solubility：

H2O: MAY DECOMPOSE

Storage Conditions：

Store below +30°C.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2811 6.1/PG 2

wgk germany：

hazard class code：

36/37/38-42-42/43-23/24/25

safety instructions：

22-26-36-45-36/37/39

RTECS Number：

NX9500000

Marks：

Xn,T

Precautionary statement(s)：

P261-P280-P305 + P351 + P338-P342 + P311

Hazard Statements：

H315-H317-H319-H334-H335

GHS Classification：

|Danger|H302 (13.04%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:149.21
XLogP3:3.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:149.02992040
Monoisotopic Mass:149.02992040
Topological Polar Surface Area:44.4
Heavy Atom Count:10
Complexity:141
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-Methylphenyl isothiocyanate

CAS No.: 622-59-3

Content: 99.00%

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