3-acetyl-indole-5-carbonitrile

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Names

[ CAS No. ]:
17380-19-7

[ Name ]:
3-acetyl-indole-5-carbonitrile

[Synonym ]:
5-cyano-3-acetylindole
3-Acetyl-5-cyan-indol
INDOLE-5-CARBONITRILE,3-ACETYL
5-Cyano-3-indolylmethyl ketone
3-acetyl-indole-5-carbonitrile

Chemical & Physical Properties

[ Density]:
1.28g/cm3

[ Boiling Point ]:
418ºC at 760 mmHg

[ Molecular Formula ]:
C11H8N2O

[ Molecular Weight ]:
184.19400

[ Flash Point ]:
206.6ºC

[ Exact Mass ]:
184.06400

[ PSA ]:
56.65000

[ LogP ]:
2.24218

[ Vapour Pressure ]:
3.38E-07mmHg at 25°C

[ Index of Refraction ]:
1.647

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NL5993130
CHEMICAL NAME :
Indole-5-carbonitrile, 3-acetyl-
CAS REGISTRY NUMBER :
17380-19-7
BEILSTEIN REFERENCE NO. :
0391186
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H8-N2-O
MOLECULAR WEIGHT :
184.21
WISWESSER LINE NOTATION :
T56 BMJ DV1 GCN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
32 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#12036

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • 3-acetyl-1H-indole-5-carboxylic acid
  • 3-ACETYL-1H-INDOLE-5-CARBOXYLIC ACID METHYL ESTER
  • 3-acetyl-5-amino-1,2-thiazole-4-carbonitrile
  • 3-Acetyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
  • 3-Acetyl-5-amino-4-hydroxybenzonitrile
  • 3-Benzoyl-1H-indole-5-carbonitrile
  • 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
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine