8-chloro-6-(3-chloro-4-methoxyphenyl)-1-(methylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Names

[ CAS No. ]:
115764-99-3

[ Name ]:
8-chloro-6-(3-chloro-4-methoxyphenyl)-1-(methylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Chemical & Physical Properties

[ Density]:
1.46g/cm3

[ Boiling Point ]:
601.7ºC at 760 mmHg

[ Molecular Formula ]:
C19H16Cl2N4OS

[ Molecular Weight ]:
419.32800

[ Flash Point ]:
317.7ºC

[ Exact Mass ]:
418.04200

[ PSA ]:
77.60000

[ LogP ]:
4.23230

[ Vapour Pressure ]:
1.97E-14mmHg at 25°C

[ Index of Refraction ]:
1.7

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5472164
CHEMICAL NAME :
4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(3-chloro-4-methoxyphenyl)- 1-((methylthio)methyl)-
CAS REGISTRY NUMBER :
115764-99-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C19-H16-Cl2-N4-O-S

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 :
>2500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CCCCAK Collection of Czechoslovak Chemical Communications. (Academic Press Inc. Ltd., 24-28 Oval Rd., London NW1 7DX, UK) V.1- 1929- Volume(issue)/page/year: 53,361,1988

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • ethyl(methylthio)acetic hydrazide
  • 7-chloro-5-(3-chloro-4-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-thione
  • 7-chloro-5-(3-chloro-4-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
  • 5,3'-dichloro-4'-methoxy-2-(phthalimidoacetamido)benzophenone

DownStream

Related Compounds

  • 1-(2-Benzofuranylmethyl)-5-chloro-1H-indole-7-carboxylic acid
  • methyl 1-(4-pyridin-3-yl benzyl)-1H-indole-7-carboxylate
  • Methyl 1-(benzo[d]thiazol-2-ylmethyl)-1H-indole-7-carboxylate
  • Methyl 1-(4-chlorophenethyl)-1H-indole-7-carboxylate
  • Methyl 5-methyl-1-(quinolin-2-ylmethyl)-1H-indole-7-carboxylate
  • Methyl 1-(4-(pyridin-4-yl)benzyl)-1H-indole-7-carboxylate
  • 5-Chloro-1-[[5-(1-piperidinyl)-2-pyridinyl]methyl]-1H-indole-7-carboxylic acid
  • Methyl 4-(cyanomethyl)-3-fluorobenzoate
  • 1-[(6-Chloro-3-pyridinyl)methyl]-1H-indole-7-carboxylic acid
  • 1-{2-[(2-hydroxyphenyl)amino]-2-oxo ethyl}-1H-indole-7-carboxylic acid
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