6-Chloro-3-methyl-11H-1,2,4-triazolo(4,3:2,3)pyridazino(4,5-b)indole

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Names

[ CAS No. ]:
80985-63-3

[ Name ]:
6-Chloro-3-methyl-11H-1,2,4-triazolo(4,3:2,3)pyridazino(4,5-b)indole

Chemical & Physical Properties

[ Density]:
1.71g/cm3

[ Boiling Point ]:
633.6ºC at 760 mmHg

[ Molecular Formula ]:
C12H8ClN5

[ Molecular Weight ]:
257.67800

[ Flash Point ]:
337ºC

[ Exact Mass ]:
257.04700

[ PSA ]:
58.87000

[ LogP ]:
2.72060

[ Index of Refraction ]:
1.873

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5495800
CAS REGISTRY NUMBER :
80985-63-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H8-Cl-N5
MOLECULAR WEIGHT :
257.70

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 71,1406,1982

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • dimethyl indole-2,3-dicarboxylate
  • 3,5-Dihydro-1-chloro-4H-pyridazino(4,5-B)indol-4-one hydrazone
  • acetic acid
  • 1H-Pyridazino(4,5-b)indole-1,4(5H)-dione, 2,3-dihydro-
  • 1,4-dichloro-5H-pyridazino[4,5-b]indole

DownStream

Related Compounds

  • 3-Amino-2-(3-bromopyridin-4-yl)propanoic acid
  • (8S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-8-methyl-3-propan-2-yl-8-prop-2-enyl-3,5,6,7-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-4-ium;trifluoromethanesulfonate
  • 3,5-Difluoro-2-hydroxybenzenesulfonamide
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 7-Chloro-2-methyl-1,6-naphthyridin-3-yl trifluoromethanesulfonate
  • 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