CAS Number4922-98-9
Synonyms5-phenyl-4H-1,2,4-triazol-3-amine; 5-amino-3-phenyl-1,2,4-triazole; 3-amino-5-phenyl-1,2,4-triazole; 3-phenyl-1H-1,2,4-triazol-5-amine; 1H-1,2,4-Triazol-3-amine,5-phenyl; 3-Amino-5-phenyl-1H-1,2,4-triazole
Molecular FormulaC8H8N4
Molecular Weight160.18
Density1.315 g/cm3
Boiling Point414.4ºC at 760 mmHg
Melting Point191-193ºC
AppearanceSolid;White to Light yellow powder to crystal
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 4922-98-9 |
| Catalog No. | 2A-9071702 |
| Chinese Name | 5-苯基-1H-1,2,4-三唑-3-胺 |
| Synonyms | 5-phenyl-4H-1,2,4-triazol-3-amine; 5-amino-3-phenyl-1,2,4-triazole; 3-amino-5-phenyl-1,2,4-triazole; 3-phenyl-1H-1,2,4-triazol-5-amine; 1H-1,2,4-Triazol-3-amine,5-phenyl; 3-Amino-5-phenyl-1H-1,2,4-triazole |
| Molecular Formula | C8H8N4 |
| Molecular Weight | 160.18 |
| Density | 1.315 g/cm3 |
| Boiling Point | 414.4ºC at 760 mmHg |
| Melting Point | 191-193ºC |
| Appearance | Solid;White to Light yellow powder to crystal |
| Storage Condition | Warehouse ventilation and low temperature drying |
| HTC | 2933990090 |
| PubChem ID | 92235 |
| MDL Number | MFCD00086332 |
| SMILES | Nc1n[nH]c(-c2ccccc2)n1 |
| InChI | InChI=1S/C8H8N4/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12) |
| InChI Key | GHUDJFJZFUVPIQ-UHFFFAOYSA-N |
| MSDS | msds/71702_1_4922_98_9.pdf |
| Use of | health and chemical hazard data given on this sheet. Storage:Store in closed vessels, refrigerated. 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:No data Flash point:No data Molecular formula: C8H8N4 Molecular weight: 160.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. 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 : 1H-1,2,4-Triazole, 3-amino-5-phenyl- CAS REGISTRY NUMBER : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : MOLECULAR WEIGHT : WISWESSER LINE NOTATION : T5MN DNJ CZ ER HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD05 - Lethal Dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 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: 9,42,1966 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Behavioral - altered sleep time (including change in righting reflex) Behavioral - tremor Behavioral - muscle weakness REFERENCE : FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 13,629,1958 Safety Information Hazard Codes Xi: Irritant; HS Code 2933990090 Synthetic Route Total: 1 Page Benzoicacid, 2-... CAS#:3679-92-3 5-PHENYL-1H-1,2... CAS#:4922-98-9 Literature: Dolzhenko, Anton V.; Dolzhenko, Anna V.; Chui, Wai-Keung Tetrahedron, 2007 , vol. 63, # 52 p. 12888 - 12895 Benzohydrazide CAS#:613-94-5 5-PHENYL-1H-1,2... CAS#:4922-98-9 Literature: Bera, Hriday; Tan, Bee Jen; Sun, Lingyi; Dolzhenko, Anton V.; Chui, Wai-Keung; Chiu, Gigi Nagar Chee European Journal of Medicinal Chemistry, 2013 , vol. 67, p. 325 - 334 Benzoyl chloride CAS#:98-88-4 5-PHENYL-1H-1,2... CAS#:4922-98-9 Literature: Bera, Hriday; Tan, Bee Jen; Sun, Lingyi; Dolzhenko, Anton V.; Chui, Wai-Keung; Chiu, Gigi Nagar Chee European Journal of Medicinal Chemistry, 2013 , vol. 67, p. 325 - 334 Precursor & DownStream Precursor 3 CAS#:3679-92-3 Benzoicacid, 2-... CAS#:613-94-5 Benzohydrazide CAS#:98-88-4 Benzoyl chloride DownStream 3 CAS#:10495-62-2 1H-1,2,4-Triazo... CAS#:73086-47-2 3-methyl-6-phen... CAS#:80670-36-6 3-diazo-5-pheny... |
| 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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