4-triazole-3-thiol,5-(p-chlorophenyl)-4-methyl-4h-2

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Names

[ CAS No. ]:
29527-27-3

[ Name ]:
4-triazole-3-thiol,5-(p-chlorophenyl)-4-methyl-4h-2

Chemical & Physical Properties

[ Density]:
1.43g/cm3

[ Boiling Point ]:
298.4ºC at 760mmHg

[ Molecular Formula ]:
C9H8ClN3S

[ Molecular Weight ]:
225.69800

[ Flash Point ]:
134.3ºC

[ Exact Mass ]:
225.01300

[ PSA ]:
69.51000

[ LogP ]:
2.42420

[ Vapour Pressure ]:
0.00127mmHg at 25°C

[ Index of Refraction ]:
1.696

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5270915
CHEMICAL NAME :
4H-1,2,4-Triazole-3-thiol, 5-(p-chlorophenyl)-4-methyl-
CAS REGISTRY NUMBER :
29527-27-3
LAST UPDATED :
199512
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H8-Cl-N3-S
MOLECULAR WEIGHT :
225.71

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 :
>800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 31,1253,1988

Safety Information

[ Hazard Codes ]:
Xi

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-(4-chlorobenzoyl)-N-methylhydrazinecarbothioamide
  • 4-Chlorobenzoyl chloride
  • 4-chlorobenzhydrazide
  • Methyl isothiocyanate

DownStream

  • 3-(4-chlorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • ((s)-4-Methylene-piperidin-2-yl)-methanol hydrochloride
  • ((r)-4-Methylene-piperidin-2-yl)-methanol hydrochloride
  • [3-Mercapto-5-(trifluoromethyl)phenyl]acetic acid
  • 6-Methyl-5-azaindole-5-oxide
  • 5-Bromo-2-(methoxymethyl)-3,4-dihydropyrimidin-4-one
  • 4-[(2S)-2-aminopropyl]phenol hydrobromide
  • 1-[2-(1-Methylethoxy)ethyl]-1H-1,2,3-triazole-4-methanol
  • 2-{[(4-Chlorophenyl)methyl]amino}propane-1,3-diol
  • 3-methyl-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-6-amine
  • (5-Aminomethyl-4-methyl-pyridin-2-yl)-phenyl-amine
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