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Home > Encyclopedia > 1-(Methylthio)-3-nitrobenzene

1-(Methylthio)-3-nitrobenzene

1-(Methylthio)-3-nitrobenzene structure

1-(Methylthio)-3-nitrobenzene 

structure
  • CAS No:

    2524-76-7

  • Formula:

    C7H7NO2S

  • Chemical Name:

    1-(Methylthio)-3-nitrobenzene

  • Synonyms:

    Benzene,1-(methylthio)-3-nitro-;Sulfide,methyl m-nitrophenyl;1-(Methylthio)-3-nitrobenzene;Methyl m-nitrophenyl sulfide;m-Nitrothioanisole;m-Nitrophenyl methyl sulfide;Methyl 3-nitrophenyl sulfide;NSC 53644;1-(Methylsulfanyl)-3-nitrobenzene;3-Nitrothioanisole

1-(Methylthio)-3-nitrobenzene Basic Attributes

169.2

169.20

219-761-7

53644

DTXSID30179899

2930909090

Characteristics

71.1

2.63

1.3±0.1 g/cm3

14.5 °C

133-134 °C @ Press: 4 Torr

112.6±22.6 °C

1.602

0.0176mmHg at 25°C

Safety Information

IRRITANT, STENCH

Xi

P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:169.20
XLogP3:2.5
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:146
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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