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

Modify Date: 2025-09-18 22:14:31

4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophen yl)-1-((phenylthio)methyl)- Structure
4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophen yl)-1-((phenylthio)methyl)- structure
Common Name 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophen yl)-1-((phenylthio)methyl)-
CAS Number 85677-81-2 Molecular Weight 451.37100
Density 1.41g/cm3 Boiling Point 640.2ºC at 760 mmHg
Molecular Formula C23H16Cl2N4S Melting Point N/A
MSDS N/A Flash Point 341ºC

 Names

Name 8-chloro-6-(2-chlorophenyl)-1-(phenylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Synonym More Synonyms

 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
InChIKey FCGASBQOWFUKKE-UHFFFAOYSA-N
SMILES Clc1ccc2c(c1)C(c1ccccc1Cl)=NCc1nnc(CSc3ccccc3)n1-2

 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

 Precursor & DownStream

Precursor  1

DownStream  0

 Synonyms

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