5-(4-Chlorophenyl)-4H-1,2,4-triazole-3-thiol

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Names

[ CAS No. ]:
26028-65-9

[ Name ]:
5-(4-Chlorophenyl)-4H-1,2,4-triazole-3-thiol

[Synonym ]:
5-(4-chlorophenyl)-1h-1,2,4-triazole-3-thiol
3-(p-chlorophenyl)-5-mercapto-s-triazole
5-(4-Chlorophenyl)-2,4-dihydro-[1,2,4]-triazole-3-thione
3-Mercapto-5-p-chlorophenyl-1,2,4-triazol
s-Triazole-3-thiol,5-(p-chlorophenyl)
3-MERCAPTO-5(4-CHLOROPHENYL)-[1,2,4-]TRIAZOLE
3-Mercapto-5-(p-chloro-phenyl)-s-triazole
MFCD00663556
3-(4-Chlor-phenyl)-5-mercapto-1,2,4-triazol
5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
5-(p-Chlorophenyl)-s-triazole-3-thiol
3-(p-chlorophenyl)-5-mercapto-4H-1,2,4-triazole

Chemical & Physical Properties

[ Density]:
1.55g/cm3

[ Boiling Point ]:
296.8ºC at 760mmHg

[ Melting Point ]:
295-299ºC(lit.)

[ Molecular Formula ]:
C8H6ClN3S

[ Molecular Weight ]:
211.67100

[ Flash Point ]:
133.3ºC

[ Exact Mass ]:
210.99700

[ PSA ]:
80.37000

[ LogP ]:
2.41380

[ Vapour Pressure ]:
0.0014mmHg at 25°C

[ Index of Refraction ]:
1.746

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5270815
CHEMICAL NAME :
s-Triazole-3-thiol, 5-(p-chlorophenyl)-
CAS REGISTRY NUMBER :
26028-65-9
LAST UPDATED :
199512
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H6-Cl-N3-S
MOLECULAR WEIGHT :
211.68

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

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

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

  • 4-ALLYL-5-(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
  • 4,5-BIS(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
  • 5-(p-Chlorophenyl)-1H-1,2,4-triazole-3-carbaldehyde
  • 5-(4-methoxyphenyl)-4h-1,2,4-triazole-3-thiol
  • 5-(4-fluorophenyl)-4h-1,2,4-triazole-3-thiol
  • 5-(4-PENTYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
  • Cux9jxg34F
  • 3-(4-Bromo-3-nitrophenyl)-3-hydroxypropanenitrile
  • Trimethyl(2-((3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)phenoxy)methoxy)ethyl)silane
  • 4-(2,3,4-trimethoxyphenyl)-1H-pyrazole
  • 3-Aminopropyl 2,5-dioxopyrrolidin-1-yl carbonate
  • 4-Amino-3-(2-methoxy-4-methylphenyl)butanoic acid
  • 2-Amino-3-(4-fluoro-2-methoxyphenyl)-3-methylbutanoic acid
  • 2-Amino-2-[1-(quinolin-2-yl)cyclopropyl]acetic acid
  • 2-amino-2-(1-ethyl-1H-pyrazol-3-yl)acetic acid
  • 3-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)cyclobutane-1-carboxylic acid
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