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

  • 1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-3,3-difluoropiperidine-4-carboxylic acid
  • (Z)-4-methyl-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl cyclopropanecarboxylate
  • 3-(adamantan-1-yl)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
  • C19H16Cl2N2O5
  • 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-(oxan-4-yl)propanoic acid
  • 2-(4-methoxyphenyl)-8,9-dimethyl-7-(3-pyridinyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
  • 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-(1-methoxycyclobutyl)acetic acid
  • N-[(2Z)-3-(1,3-benzodioxol-5-yl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]benzamide
  • 2-{[(2-ethyl-1,3-thiazol-5-yl)methyl]({[(9H-fluoren-9-yl)methoxy]carbonyl})amino}acetic acid
  • (Z)-7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-4-methyl-2-(pyridin-4-ylmethylene)benzofuran-3(2H)-one