4-amino-3-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione

Modify Date: 2023-01-16 17:20:34

4-amino-3-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Structure
4-amino-3-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione structure
 Common Name 4-amino-3-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
CAS Number 115398-66-8 Molecular Weight 270.73900
Density 1.52g/cm3 Boiling Point 404.1ºC at 760mmHg
Molecular Formula C10H11ClN4OS Melting Point N/A
MSDS N/A Flash Point 198.2ºC

 Names

Name 4-amino-3-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione

 Chemical & Physical Properties

Density 1.52g/cm3
Boiling Point 404.1ºC at 760mmHg
Molecular Formula C10H11ClN4OS
Molecular Weight 270.73900
Flash Point 198.2ºC
Exact Mass 270.03400
PSA 104.76000
LogP 2.40260
Vapour Pressure 9.67E-07mmHg at 25°C
Index of Refraction 1.701

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5358430
CHEMICAL NAME :
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-amino-5-((4-chloro-2-methylphenoxy)meth yl)-
CAS REGISTRY NUMBER :
115398-66-8
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H11-Cl-N4-O-S

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 :
INDRBA Indian Drugs. (Indian Drugs Manufacturers' Assoc., 102B, Poonam Chambers, Dr. A. B. Rd., Worli, Bombay 400 018, India) V.1- 1963- Volume(issue)/page/year: 25,257,1988

 Synthetic Route

MCPA structure

MCPA

CAS#:94-74-6
Thiocarbohydrazide structure

Thiocarbohydrazide

CAS#:2231-57-4

~63%

4-amino-3-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Structure

4-amino-3-[(4-c...

CAS#:115398-66-8
Literature: Prasad; Ramalingam; Rao; Diwan; Sattur European Journal of Medicinal Chemistry, 1989 , vol. 24, # 2 p. 199 - 201
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Chemsrc provides CAS#:115398-66-8 MSDS, density, melting point, boiling point, structure, etc. Its name is 4-amino-3-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione>> amp version: 4-amino-3-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione

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