Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 4-triazole-3-thiol,5-(p-chlorophenyl)-4-methyl-4h-2
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Purity: 98.0%
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29527-27-3

29527-27-3 structure

29527-27-3 structure

Name: 4-triazole-3-thiol,5-(p-chlorophenyl)-4-methyl-4h-2
Chemical Name: 3-(4-chlorophenyl)-4-methyl-1H-1,2,4-triazole-5-thione
CAS Number: 29527-27-3
Molecular Formula: C₉H₈ClN₃S
Molecular Weight: 225.69800
Create Date: 2016-08-12 22:35:15
Modify Date: 2024-01-10 12:12:52

Name	3-(4-chlorophenyl)-4-methyl-1H-1,2,4-triazole-5-thione

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

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

Hazard Codes	Xi
HS Code	2933990090

29527-10-4 structure

29527-10-4

~30%

29527-27-3 structure

29527-27-3

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

122-01-0 structure

122-01-0

~%

29527-27-3 structure

29527-27-3

Literature: Journal of Medicinal Chemistry, , vol. 31, # 6 p. 1253 - 1258

536-40-3 structure

536-40-3

~%

29527-27-3 structure

29527-27-3

Literature: Journal of Medicinal Chemistry, , vol. 37, # 1 p. 125 - 132

536-40-3 structure

536-40-3

556-61-6 structure

556-61-6

~80%

29527-27-3 structure

29527-27-3

Literature: Rostamizadeh, Shahnaz; Mollahoseini, Kambiz; Moghadasi, Samar Phosphorus, Sulfur and Silicon and the Related Elements, 2006 , vol. 181, # 8 p. 1839 - 1845

Precursor 4
29527-10-4 122-01-0 536-40-3 556-61-6
DownStream 1
57295-58-6

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%