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

  • N-{2-[(4-fluorobenzyl)amino]-2-oxoethyl}-4-(pyridin-2-yl)piperazine-1-carboxamide
  • 4-butyl-N-[1-(1H-indol-2-ylcarbonyl)piperidin-4-yl]-2-methyl-1,3-thiazole-5-carboxamide
  • N-(5-acetamido-2-methoxyphenyl)-2-isobutyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
  • 3-(3,4-Dichlorobenzoyl)-1lambda6-thiolane-1,1-dione
  • N-[2-(cyclopentylamino)-2-oxoethyl]-4-(pyridin-2-yl)piperazine-1-carboxamide
  • N-[2-(1-methyl-1H-1,3-benzimidazol-2-yl)ethyl]-2-[1-(1H-1,2,3,4-tetraazol-1-ylmethyl)cyclohexyl]acetamide
  • 2-(2,2-dimethyl-3-oxopiperazino)-N-[2-(4-methoxy-1H-indol-1-yl)ethyl]acetamide
  • 6-bromo-N-[2-(1H-imidazol-4-yl)ethyl]-1-benzothiophene-2-carboxamide
  • N-[2-(1H-imidazol-4-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
  • N-{2-[benzyl(methyl)amino]-2-oxoethyl}-4-(pyrimidin-2-yl)piperazine-1-carboxamide
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