methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate
Names
[ CAS No. ]:
126335-04-4
[ Name ]:
methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate
[Synonym ]:
2-Propenoic acid,3-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-,methyl ester
Chemical & Physical Properties
[ Density]:
1.35g/cm3
[ Boiling Point ]:
502ºC at 760mmHg
[ Molecular Formula ]:
C12H12N4O2S
[ Molecular Weight ]:
276.31400
[ Flash Point ]:
257.4ºC
[ Exact Mass ]:
276.06800
[ PSA ]:
108.33000
[ LogP ]:
2.01890
[ Vapour Pressure ]:
3.29E-10mmHg at 25°C
[ Index of Refraction ]:
1.655
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UD3010000
- CHEMICAL NAME :
- 2-Propenoic acid, 3-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-, methyl ester
- CAS REGISTRY NUMBER :
- 126335-04-4
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C12-H12-N4-O2-S
- MOLECULAR WEIGHT :
- 276.34
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Mammal - species unspecified
- DOSE/DURATION :
- 550 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 23,911,1989