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2-Acetyldibenzothiophene

2-Acetyldibenzothiophene structure

2-Acetyldibenzothiophene 

structure
  • CAS No:

    22439-58-3

  • Formula:

    C14H10OS

  • Chemical Name:

    2-Acetyldibenzothiophene

  • Synonyms:

    Ethanone,1-(2-dibenzothienyl)-;Ketone,2-dibenzothienyl methyl;Dibenzothiophene,ethanone deriv.;1-(2-Dibenzothienyl)ethanone;2-Acetyldibenzothiophene;NSC 220077

2-Acetyldibenzothiophene Basic Attributes

226.293

226.29

79R107Z34L

220077

Characteristics

45.3

4.1

1.1989 (rough estimate)

111 °C

198-201 °C @ Press: 2 Torr

Intravenous-Mouse LD50: 180 mg/kg

Flammable; burning produces toxic sulfur oxide fumes

Safety Information

Ventilated, low temperature and dry; stored separately from food materials in warehouse

P264, P270, P273, P280, P301+P312, P305+P351+P338, P330, P337+P313, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

highly toxic

Computed Properties

Molecular Weight:226.30
XLogP3:4.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:226.04523611
Monoisotopic Mass:226.04523611
Topological Polar Surface Area:45.3
Heavy Atom Count:16
Complexity:289
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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