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Home > Encyclopedia > 3-Acetylbenzothiophene

3-Acetylbenzothiophene

3-Acetylbenzothiophene structure

3-Acetylbenzothiophene 

structure
  • CAS No:

    1128-05-8

  • Formula:

    C10H8OS

  • Chemical Name:

    3-Acetylbenzothiophene

  • Synonyms:

    Ethanone,1-benzo[b]thien-3-yl-;Ketone,benzo[b]thien-3-yl methyl;1-Benzo[b]thien-3-ylethanone;3-Acetylbenzothiophene;3-Acetylbenzo[b]thiophene;3-Acetylthianaphthene;3-Acetylthionaphthene;1-(3-Benzo[b]thienyl)ethanone;NSC 3226;1-(Benzo[b]thiophen-3-yl)ethanone;1-(Benzo[b]thien-3-yl)ethanone;1-(1-Benzothiophen-3-yl)ethan-1-one

3-Acetylbenzothiophene Basic Attributes

176.23492

176.23

122587

-0

3226

DTXSID2074457

Characteristics

45.31000

2.78

1.2±0.1 g/cm3

64-65 °C

135-137 °C @ Press: 3 Torr

165-170°C/10mm

1.647

Safety Information

24/25

OB6125000

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:176.24
XLogP3:2.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:176.02958605
Monoisotopic Mass:176.02958605
Topological Polar Surface Area:45.3
Heavy Atom Count:12
Complexity:190
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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