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2-Nitrodibenzothiophene

2-Nitrodibenzothiophene structure

2-Nitrodibenzothiophene 

structure
  • CAS No:

    6639-36-7

  • Formula:

    C12H7NO2S

  • Chemical Name:

    2-Nitrodibenzothiophene

  • Synonyms:

    Dibenzothiophene,2-nitro-;2-Nitrodibenzothiophene;NSC 16062;2-Nitrodibenzo[b,d]thiophene

2-Nitrodibenzothiophene Basic Attributes

229.253

229.25

EK8F3V9FW3

16062

DTXSID00216609

2934999090

Characteristics

74.1

4.48590

1.441g/cm3

186 °C @ Solvent: Ethanol

422.5ºC at 760 mmHg

209.3ºC

1.782

Safety Information

R36/38

S26-S36

P264, P270, P301+P310, P321, P330, P405, P501

H301

2-Nitrodibenzothiophene Use and Manufacturing

2-Nitrodibenzothiophene is a nitrated polycyclic aromatic hydrocarbon (PAH). 2-Nitrodibenzothiophene is removed from coal by hydrogenation in Tetralin.

Computed Properties

Molecular Weight:229.26
XLogP3:4.2
Hydrogen Bond Acceptor Count:3
Exact Mass:229.01974964
Monoisotopic Mass:229.01974964
Topological Polar Surface Area:74.1
Heavy Atom Count:16
Complexity:291
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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