2-Hepten-1-one, 3-((4-amino-4H-1,2,4-triazol-3-yl)thio)-1-phenyl-

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Names

[ CAS No. ]:
126335-02-2

[ Name ]:
2-Hepten-1-one, 3-((4-amino-4H-1,2,4-triazol-3-yl)thio)-1-phenyl-

Chemical & Physical Properties

[ Density]:
1.23g/cm3

[ Boiling Point ]:
497.7ºC at 760mmHg

[ Molecular Formula ]:
C15H18N4OS

[ Molecular Weight ]:
302.39500

[ Exact Mass ]:
302.12000

[ PSA ]:
99.10000

[ LogP ]:
3.62220

[ Vapour Pressure ]:
4.85E-10mmHg at 25°C

[ Index of Refraction ]:
1.628

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MJ9696000
CHEMICAL NAME :
2-Hepten-1-one, 3-((4-amino-4H-1,2,4-triazol-3-yl)thio)-1-phenyl-
CAS REGISTRY NUMBER :
126335-02-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H18-N4-O-S
MOLECULAR WEIGHT :
302.43

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 :
225 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

Related Compounds

  • N2-isopropyl-4-methylpyridine-2,3-diamine
  • Benzyl 4-(4-chloro-2-fluorobenzyl)-4-hydroxyazepane-1-carboxylate
  • 3-Chloro-4-ethylbenzonitrile
  • (3-Fluoro-pyridin-2-ylamino)-acetic acid methyl ester
  • 4-(4-(Trifluoromethyl)piperidin-1-yl)butanoic acid
  • 1-(2-chlorophenyl)-3-methyl-1H-1,2,4-triazol-5-amine
  • 4-[4-(Trifluoromethyl)-1-piperidinyl]benzoic acid
  • 2-Amino-1-[4-(trifluoromethyl)piperidin-1-yl]ethan-1-one
  • 2-(4-(Trifluoromethyl)piperidin-1-yl)isonicotinic acid
  • 1-(Pyrrolidine-2-carbonyl)-4-(trifluoromethyl)piperidine
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