2-[[4-(4-bromophenyl)-5-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid

Modify Date: 2025-09-20 19:14:20

2-[[4-(4-bromophenyl)-5-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid Structure
2-[[4-(4-bromophenyl)-5-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid structure
 Common Name 2-[[4-(4-bromophenyl)-5-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CAS Number 116989-83-4 Molecular Weight 579.85600
Density 1.73g/cm3 Boiling Point 785.3ºC at 760mmHg
Molecular Formula C25H16BrClN6O2S Melting Point N/A
MSDS N/A Flash Point 428.7ºC

 Names

Name 2-[[4-(4-bromophenyl)-5-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid

 Chemical & Physical Properties

Density 1.73g/cm3
Boiling Point 785.3ºC at 760mmHg
Molecular Formula C25H16BrClN6O2S
Molecular Weight 579.85600
Flash Point 428.7ºC
Exact Mass 577.99300
PSA 124.02000
LogP 5.95930
Vapour Pressure 5.6E-26mmHg at 25°C
Index of Refraction 1.808

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AF6327000
CHEMICAL NAME :
Acetic acid, ((1-(4-bromophenyl)-5-((9-chloro-6H-indolo(2,3-b)quin oxalin-6-yl)methyl)-1 H- 1,3,4-triazol-2-yl)thio)-
CAS REGISTRY NUMBER :
116989-83-4
LAST UPDATED :
199103
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C25-H16-Br-Cl-N6-O2-S
MOLECULAR WEIGHT :
579.89

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
316 mg/kg
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS Behavioral - somnolence (general depressed activity)
REFERENCE :
APJUA8 Acta Pharmaceutica Jugoslavica. (FDH, Masarykova 2, 41000 Zagreb, Yugoslavia) V.1-41, 1951-1991. Volume(issue)/page/year: 38,11,1988
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Chemsrc provides CAS#:116989-83-4 MSDS, density, melting point, boiling point, structure, etc. Its name is 2-[[4-(4-bromophenyl)-5-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid>> amp version: 2-[[4-(4-bromophenyl)-5-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid

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