1-(1H-Indol-5-yl)ethanone

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Names

[ CAS No. ]:
53330-94-2

[ Name ]:
1-(1H-Indol-5-yl)ethanone

[Synonym ]:
1-(1H-Indol-5-yl)ethanone
5-acetyl-1h-indole
1-indol-5-yl-ethanone
5-Acetylindole
1-(1H-Indol-5-yl)-ethanone
1-Indol-5-yl-aethanon
Ethanone, 1-(1H-indol-5-yl)-
Acetyl-5-indole [French]
MFCD00481875
KETONE,INDOL-5-YL METHYL
Acetyl-5-indole

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
333.9±15.0 °C at 760 mmHg

[ Melting Point ]:
95-96ºC

[ Molecular Formula ]:
C10H9NO

[ Molecular Weight ]:
159.185

[ Flash Point ]:
163.7±27.8 °C

[ Exact Mass ]:
159.068420

[ PSA ]:
32.86000

[ LogP ]:
1.59

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.648

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OB4525000
CHEMICAL NAME :
Ketone, indol-5-yl methyl
CAS REGISTRY NUMBER :
53330-94-2
BEILSTEIN REFERENCE NO. :
0118713
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H9-N-O
MOLECULAR WEIGHT :
159.20
WISWESSER LINE NOTATION :
T56 BMJ GV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
450 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 9,453,1974

Safety Information

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
26-36/37/39

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Indole-5-carboxylic Acid
  • METHYLLITHIUM
  • 4-Aminoacetophenone
  • 1-(4-amino-3-iodophenyl)ethanone
  • N-methoxy-N-methyl-1H-indole-5-carboxamide
  • METHYLMAGNESIUM BROMIDE
  • 5-Acetyl-indole-3-carboxylic acid
  • 5-Acetylindoline,1-(2,3-dihydro-1H-indol-5-yl)ethanone

DownStream

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 2-chloro-1-(1H-indol-5-yl)ethanone
  • 2-Hydroxy-1-(1H-indol-5-yl)ethanone
  • 2,2,2-Trifluoro-1-(1H-indol-5-yl)ethanone
  • 2-dimethylamino-1-indol-5-yl-ethanone
  • 2-(benzyl-isopropyl-amino)-1-indol-5-yl-ethanone
  • 2-(benzyl-methyl-amino)-1-indol-5-yl-ethanone
  • N-(2-chlorobenzyl)-2-(4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetamide
  • 4-methyl-1-(2-oxo-2-phenylethyl)-3-(trifluoromethyl)-1H-1,2,4-triazol-5(4H)-one
  • 2-(3-cyclopropyl-5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetonitrile
  • 3-cyclopropyl-4-phenyl-1-(pyridin-2-ylmethyl)-1H-1,2,4-triazol-5(4H)-one
  • 1-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-3-cyclopropyl-4-phenyl-1H-1,2,4-triazol-5(4H)-one
  • N-cyclopropyl-2-(3-cyclopropyl-5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetamide
  • 2-(3-cyclopropyl-5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-yl)-N-(pyridin-3-yl)acetamide
  • 3-cyclopropyl-1-(2-(indolin-1-yl)-2-oxoethyl)-4-phenyl-1H-1,2,4-triazol-5(4H)-one
  • 2-(3-cyclopropyl-5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-yl)-N-[(oxolan-2-yl)methyl]acetamide
  • 2-(3-cyclopropyl-5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-yl)-N-(4-fluorobenzyl)acetamide
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