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

Modify Date: 2025-10-22 14:37:12

2-[[4-(4-bromophenyl)-5-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Structure
2-[[4-(4-bromophenyl)-5-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid structure
 Common Name 2-[[4-(4-bromophenyl)-5-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CAS Number 116989-79-8 Molecular Weight 545.41000
Density 1.67g/cm3 Boiling Point 765.6ºC at 760 mmHg
Molecular Formula C25H17BrN6O2S Melting Point N/A
MSDS N/A Flash Point 416.8ºC

 Names

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

 Chemical & Physical Properties

Density 1.67g/cm3
Boiling Point 765.6ºC at 760 mmHg
Molecular Formula C25H17BrN6O2S
Molecular Weight 545.41000
Flash Point 416.8ºC
Exact Mass 544.03200
PSA 124.02000
LogP 5.30590
Vapour Pressure 1.19E-24mmHg at 25°C
Index of Refraction 1.804

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AF6340000
CHEMICAL NAME :
Acetic acid, ((1-(4-bromophenyl)-5-((6H-indolo(2,3-b)quinoxalin-6- yl)methyl)-1H-1,3,4- triazol-2-yl)thio)-
CAS REGISTRY NUMBER :
116989-79-8
LAST UPDATED :
199103
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C25-H17-Br-N6-O2-S
MOLECULAR WEIGHT :
545.45

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 :
681 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#:116989-79-8 MSDS, density, melting point, boiling point, structure, etc. Its name is 2-[[4-(4-bromophenyl)-5-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid>> amp version: 2-[[4-(4-bromophenyl)-5-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid

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