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4-NITROTHIOANISOLE

4-NITROTHIOANISOLE structure

CAS No:
701-57-5
Formula:
C7H7NO2S
Chemical Name:
4-NITROTHIOANISOLE
Synonyms:
4-NITROTHIOANISOLE;p-Nitrothioanisole;4-Nitrothioanisole 98%;P-(METHYLTHIO)NITROBENZENE;4-(METHYLTHIO)NITROBENZENE;Methyl 4-nitrophenylsulphide;METHYL-4-NITROPHENYL SULFIDE;methyl(4-nitrophenyl)sulfane;p-Nitrophenyl methyl sulfide;1-(METHYLTHIO)-4-NITROBENZENE
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

Yellow solid

4-NITROTHIOANISOLE Basic Attributes

Molecular Weight：

169.2

Exact Mass：

169.019745

BRN：

1817928

EC Number：

1312995-182-4

NSC Number：

525300|53158

DSSTox ID：

DTXSID10220378

HScode：

2930909090

Characteristics

PSA：

71.1

XLogP3：

2.4

Appearance：

Light yellow to brown solid

Density：

1.3±0.1 g/cm3

Melting Point：

66-69 °C(lit.)

Boiling Point：

140 °C / 2mmHg

Flash Point：

128.8±22.6 °C

Refractive Index：

1.602

Safety Information

Hazard category：

IRRITANT, STENCH

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22

safety instructions：

22-36/37/39-36/37

Marks：

Hazard note：

Harmful/Stench

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-nitrophenyl methyl sulfide

Computed Properties

Molecular Weight:169.20
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:169.01974964
Monoisotopic Mass:169.01974964
Topological Polar Surface Area:71.1
Heavy Atom Count:11
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

13118-32-6

29843-53-6

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4-NITROTHIOANISOLE

CAS No.: 701-57-5

Grade: industrial Grade

Content: 98%

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