57295-58-6

57295-58-6 structure

57295-58-6 structure

Name: 3-(4-chlorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole
Chemical Name: 3-(4-chlorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole
CAS Number: 57295-58-6
Molecular Formula: C₁₀H₁₀ClN₃S
Molecular Weight: 239.72400
Create Date: 2016-10-14 10:36:37
Modify Date: 2024-01-02 12:30:45

Name	3-(4-chlorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole
Synonyms	3-p-Chlorphenyl-4-methyl-5-methylthio-1,2,4-triazol

Density	1.34g/cm3
Boiling Point	411.8ºC at 760 mmHg
Molecular Formula	C₁₀H₁₀ClN₃S
Molecular Weight	239.72400
Flash Point	202.9ºC
Exact Mass	239.02800
PSA	56.01000
LogP	2.85740
Index of Refraction	1.655

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XZ4500230

CHEMICAL NAME :: 4H-1,2,4-Triazole, 3-(4-chlorophenyl)-4-methyl-5-(methylthio)-

CAS REGISTRY NUMBER :: 57295-58-6

BEILSTEIN REFERENCE NO. :: 0653344

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C10-H10-Cl-N3-S

MOLECULAR WEIGHT :: 239.74

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: 37,125,1994

HS Code	2933990090

29527-27-3 structure

29527-27-3

74-88-4 structure

74-88-4

~72%

57295-58-6 structure

57295-58-6

Literature: Kane; Staeger; Dalton; Miller; Dudley; Ogden; Kehne; Ketteler; McCloskey; Senyah; Chmielewski Journal of Medicinal Chemistry, 1994 , vol. 37, # 1 p. 125 - 132

29527-10-4 structure

29527-10-4

~%

57295-58-6 structure

57295-58-6

Literature: Kane; Staeger; Dalton; Miller; Dudley; Ogden; Kehne; Ketteler; McCloskey; Senyah; Chmielewski Journal of Medicinal Chemistry, 1994 , vol. 37, # 1 p. 125 - 132

536-40-3 structure

536-40-3

~%

57295-58-6 structure

57295-58-6

Literature: Kane; Staeger; Dalton; Miller; Dudley; Ogden; Kehne; Ketteler; McCloskey; Senyah; Chmielewski Journal of Medicinal Chemistry, 1994 , vol. 37, # 1 p. 125 - 132

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%