1-(1-Benzothien-3-yl)ethanone

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Names

[ CAS No. ]:
1128-05-8

[ Name ]:
1-(1-Benzothien-3-yl)ethanone

[Synonym ]:
3-acetylbenzo[b]thiophene
MFCD00051638
1-benzo[b]thiophen-3-ylethan-1-one
Ketone, benzo(b)thien-3-yl methyl
Ketone, benzo(b)thien-3-yl methyl (8CI)
1-(benzothiophen-3-yl)ethanone
3-ACETYLTHIANAPHTHENE,98
Ethanone, 1-benzo[b]thien-3-yl-
1-(Benzo[b]thiophene-3-yl)ethanone
1-(Benzo<b>thien-3-yl)ethanone
3-Acetyl-1-benzothiophene
3-Acetyl benzothiophene
Ketone, benzo[b]thien-3-yl methyl
1-(1-Benzothien-3-yl)ethanone
1-benzo[b]thiophen-3-ylethanone
1-(1-Benzothiophen-3-yl)ethanone

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
304.5±15.0 °C at 760 mmHg

[ Melting Point ]:
61-65ºC

[ Molecular Formula ]:
C10H8OS

[ Molecular Weight ]:
176.235

[ Flash Point ]:
138.0±20.4 °C

[ Exact Mass ]:
176.029587

[ PSA ]:
45.31000

[ LogP ]:
2.78

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.647

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OB6125000
CHEMICAL NAME :
Ketone, methyl 3-thianaphthenyl
CAS REGISTRY NUMBER :
1128-05-8
BEILSTEIN REFERENCE NO. :
0122587
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H8-O-S
MOLECULAR WEIGHT :
176.24

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 7,690,1955

Safety Information

[ Safety Phrases ]:
S24/25

[ RTECS ]:
OB6125000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Acetyl chloride
  • Thianaphthene
  • 3-IODOBENZO[B]THIOPHENE
  • methyl iodide
  • 1-Benzo[b]thiophen-3-yl-ethanol
  • Ethanoic anhydride
  • 5-Bromo-1-benzothiophene
  • N,N-Dimethylacetamide
  • Benzo[b]thiophene-3-carbonitrile
  • METHYLMAGNESIUM IODIDE

DownStream

  • 1-Benzothiophene-3-carboxylic acid
  • 3-ethyl-1-benzothiophene
  • 1-Benzo[b]thiophen-3-yl-ethanol
  • 1-benzothiophen-3-yl-4,4,5,5,6,6,6-heptafluoro-hexane-1,3-dione
  • 3-ethyl-1-benzothiophene 1,1-dioxide
  • 1-(1-Benzothiophen-3-yl)-2-bromoethanone
  • Methanone,1,1'-(5-oxido-1,2,5-oxadiazole-3,4-diyl)bis[1-benzo[b]thien-3-yl-
  • 2-Butanone, 3-phenyl-
  • 1-[1-(1-benzothiophen-3-yl)ethenyl]pyrrolidine
  • 1-(1-benzothiophen-3-yl)-3-(dimethylamino)propan-1-one

Related Compounds

  • 2,2,2-trichloro-1-[6-(methyloxy)-1-benzothien-3-yl]ethanone
  • 1-(1-acetylpyrazolidin-3-yl)ethanone
  • 1-(1-benzoylindol-3-yl)ethanone
  • 1-(1-methylpiperidin-3-yl)ethanone
  • 1-(1,3-oxazolidin-3-yl)ethanone
  • 1-(1,3-Cyclohexadien-1-yl)ethanone 2,4-dinitrophenyl hydrazone
  • 2-Chloro-N-[(1R,2S)-2-(3,4,5-trifluorophenyl)cyclopropyl]propanamide
  • 2-Chloro-N-[2-(pyridin-2-ylmethyl)cyclopentyl]propanamide
  • 2-Chloro-N-((5-(3-cyanophenyl)-1H-imidazol-2-yl)methyl)propanamide
  • 2-Chloro-1-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]propan-1-one
  • 7-(2-Chloropropanoyl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
  • 2-Chloro-N-[(2R,3R)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]propanamide
  • 2-Chloro-1-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propan-1-one
  • 2-Chloro-1-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one
  • 2-Chloro-1-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
  • N-(2-Bicyclo[2.2.1]hept-5-enylmethyl)-2-chloro-N-(1-methylpiperidin-4-yl)propanamide
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