4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophen yl)-1-((phenylthio)methyl)-

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Names

[ CAS No. ]:
85677-81-2

[ Name ]:
4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophen yl)-1-((phenylthio)methyl)-

[Synonym ]:
4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine,8-chloro-6-(2-chlorophenyl)-1-((phenylthio)methyl)

Chemical & Physical Properties

[ Density]:
1.41g/cm3

[ Boiling Point ]:
640.2ºC at 760 mmHg

[ Molecular Formula ]:
C23H16Cl2N4S

[ Molecular Weight ]:
451.37100

[ Flash Point ]:
341ºC

[ Exact Mass ]:
450.04700

[ PSA ]:
68.37000

[ LogP ]:
5.65300

[ Index of Refraction ]:
1.722

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5472926
CHEMICAL NAME :
4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((phenylthio) methyl)-
CAS REGISTRY NUMBER :
85677-81-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C23-H16-Cl2-N4-S
MOLECULAR WEIGHT :
451.39

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
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 :
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: 48,123,1983

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Delorazepam

DownStream

Related Compounds

  • Tert-butyl 5-oxo-1-azaspiro[5.5]undecane-1-carboxylate
  • 1-(Fluoromethyl)-2-oxabicyclo[2.2.1]heptane-4-carboxylic acid
  • 2-(4-Methyl-4-oxo-1,4lambda5-azaphosphinan-1-yl)acetic acid
  • 2-[6-(1-Benzothiophen-2-yl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid
  • 3-Dimethylphosphoryl-4,4,4-trifluorobutanoic acid
  • rac-(4R,5R)-3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
  • Methyl 4-(2,4-difluorophenyl)-1,2-oxazole-3-carboxylate
  • Methyl 3,3-dimethyl-2-thiophen-2-ylbutanoate
  • 2-{2-methyl-1H-pyrrolo[2,3-c]pyridin-1-yl}ethan-1-amine
  • 1-{5-Oxa-6-azaspiro[3.4]oct-6-en-7-yl}methanamine
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