![4-Methyl-5-Methyl-4H-[1,2,3]triazole-3-thiol structure, CAS 38942-50-6](/structures/80000/79780_1_38942_50_6.png)
CAS Number38942-50-6
SynonymsEINECS 254-202-0; 1,2-dimethyl-5-mercapto-1,3,4-triazole; 3H-1,2,4-Triazole-3-thione,2,4-dihydro-4,5-dimethyl; 1,2-dimethyl-1,3,4-triazole-5-thiol; 2,4-Dihydro-4,5-dimethyl-3H-1,2,4-triazole-3-thione; 3,4-dimethyl-1,2,4-triazole-5-thiol; 4,5-dimethyl-1,2,4-triazole-3-thiol
Molecular FormulaC4H7N3S
Molecular Weight129.18300
Density1.35 g/cm3
Boiling Point150.5ºC at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 38942-50-6 |
| Catalog No. | 2A-9079780 |
| Chinese Name | 3,4-二甲基-1H-1,2,4-三唑-5(4H)-硫酮 |
| Synonyms | EINECS 254-202-0; 1,2-dimethyl-5-mercapto-1,3,4-triazole; 3H-1,2,4-Triazole-3-thione,2,4-dihydro-4,5-dimethyl; 1,2-dimethyl-1,3,4-triazole-5-thiol; 2,4-Dihydro-4,5-dimethyl-3H-1,2,4-triazole-3-thione; 3,4-dimethyl-1,2,4-triazole-5-thiol; 4,5-dimethyl-1,2,4-triazole-3-thiol |
| Molecular Formula | C4H7N3S |
| Molecular Weight | 129.18300 |
| Density | 1.35 g/cm3 |
| Boiling Point | 150.5ºC at 760 mmHg |
| Storage Condition | Room temperature, store in inert gas |
| HTC | 2933990090 |
| PubChem ID | 480858 |
| SMILES | Cc1n[nH]c(=S)n1C |
| InChI | InChI=1S/C4H7N3S/c1-3-5-6-4(8)7(3)2/h1-2H3,(H,6,8) |
| InChI Key | OTVCBBXLGYYSNC-UHFFFAOYSA-N |
| MSDS | msds/79780_1_38942_50_6.pdf |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point: Flash point:No data Molecular formula:C4H7N3S Molecular weight:129.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, sulfur oxides. Section11. Toxicological information Section12. Ecological information Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4,5-dimethyl- CAS REGISTRY NUMBER : 38942-50-6 LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C4-H7-N3-S MOLECULAR WEIGHT : 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 : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 38,2595,1990 Safety Information Hazard Codes Xi: Irritant; HS Code 2933990090 Precursor & DownStream Precursor 5 CAS#:64-19-7 acetic acid CAS#:6610-29-3 4-Methylthiosem... CAS#:1068-57-1 Acethydrazide CAS#:556-61-6 Methyl isothioc... DownStream 1 CAS#:16778-74-8 4H-1,2,4-Triazo... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: 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% |
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