3-Acetylindole

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Names

[ CAS No. ]:
703-80-0

[ Name ]:
3-Acetylindole

[Synonym ]:
1-(1H-indol-3-yl)-ethanone
3-indolyl-methyl-ketone
Acetyl-3-indole
1-(1H-Indol-3-yl)ethanone
3-Acetyl-1H-indole
Ethanone, 1- (1H-indol-3-yl)-
Ethanone, 1-(1H-indol-3-yl)-
Indol-3-yl methyl ketone
KETONE,INDOL-3-YL METHYL
EINECS 211-875-5
Ethanone,1-(1H-indol-3-yl)
MFCD00005626
3-acetyl indole
3-Acetylindole

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

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

[ Melting Point ]:
188-192 °C(lit.)

[ Molecular Formula ]:
C10H9NO

[ Molecular Weight ]:
159.185

[ Flash Point ]:
163.7±27.8 °C

[ Exact Mass ]:
159.068420

[ PSA ]:
32.86000

[ LogP ]:
2.06

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

[ Index of Refraction ]:
1.648

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OB4520000
CHEMICAL NAME :
Ketone, indol-3-yl methyl
CAS REGISTRY NUMBER :
703-80-0
BEILSTEIN REFERENCE NO. :
0122579
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H9-N-O
MOLECULAR WEIGHT :
159.20
WISWESSER LINE NOTATION :
T56 BMJ DV1

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 :
300 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

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
OB4520000

[ HS Code ]:
29339990

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Indole
  • Acetyl chloride
  • Pyruvic acid
  • Ethanoic anhydride
  • Acetonitrile
  • 1,3-diacetylindole

DownStream

  • 1H-indole-2,3-dione, 3-oxime
  • N-(1H-indol-3-yl)acetamide
  • {Ag(trimethylphosphine)4}Cl
  • 1,3-diacetylindole
  • 4-(1H-INDOL-3-YL)-1,3-THIAZOL-2-AMINE
  • 3-Methylindole
  • 1-Propanone,3-(dimethylamino)-1-(1H-indol-3-yl)-
  • 1H-Indole-3-carboxylic acid
  • 1,2-bis[(1Z)-1-indol-3-ylideneethyl]hydrazine
  • benzyl 3-acetylindole-1-carboxylate

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%

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Related Compounds

  • N-ethyl-3-acetylindole
  • 5-bromo-3-acetylindole
  • 5-cyano-3-acetylindole
  • 2-phenyl-3-acetylindole
  • N-acetyl-3-acetylindole
  • 2-methyl-3-acetylindole
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • Methyl 3,5-dibromo-2,4-difluorophenylacetate
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide