| Chemical & Physical Properties | |
|---|---|
| CAS Number | 5346-56-5 |
| Catalog No. | 2A-0142755 |
| Chinese Name | 5-氨基-4-氰基-3-甲基-1-苯基-1H-吡唑 |
| Synonyms | 5-amino-3-methyl-1-phenylpyrazole-4-carbonitrile; 5-Amino-4-cyano-3-methyl-1-phenyl-1H-pyrazole |
| Molecular Formula | C11H10N4 |
| Molecular Weight | 217.65 |
| Purity | 96+ |
| Density | 1.23g/cm3 |
| Boiling Point | 408.2ºC at 760mmHg |
| Melting Point | 129ºC |
| Appearance | solid |
| Storage Condition | Avoid light, keep in a cool and dry place, sealed |
| EINECS | 0 |
| HTC | 2933199090 |
| UN(IATA) | 0 |
| PubChem ID | 329830269 |
| MDL Number | MFCD00455809 |
| SMILES | Clc1[n](nc(c1C#N)C)c2ccccc2 |
| InChI | 1S/C11H8ClN3/c1-8-10(7-13)11(12)15(14-8)9-5-3-2-4-6-9/h2-6H,1H3 |
| InChI Key | MWXQWRGAGVHIDR-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12352200 |
| MSDS | msds/142755_1_5346_56_5.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:C11H10N4 Molecular weight:198.2 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 Safety Information Hazard Codes Xi HS Code 2933199090 Synthetic Route Phenylhydrazine CAS#:100-63-0 2-(1-Ethoxyethy... CAS#:5417-82-3 1H-Pyrazole-4-c... CAS#:5346-56-5 Literature: Allouche, Fatma; Chabchoub, Fahker; Salem, Mansour; Kirsch, Gilbert Synthetic Communications, 2011 , vol. 41, # 10 p. 1500 - 1507 CAS#:101309-49-3 1H-Pyrazole-4-c... CAS#:5346-56-5 Literature: Vicentini; Poli; Manfrini; Guarneri; Giori; Brandolini Farmaco, Edizione Scientifica, 1987 , vol. 42, # 2 p. 133 - 143 CAS#:53106-29-9 1H-Pyrazole-4-c... CAS#:5346-56-5 Literature: Barreiro, Eliezer J.; Camara, Celso A.; Verli, Hugo; Brazil-Mas, Leonora; Castro, Newton G.; Cintra, Wagner M.; Aracava, Yasco; Rodrigues, Carlos R.; Fraga, Carlos A. M. Journal of Medicinal Chemistry, 2003 , vol. 46, # 7 p. 1144 - 1152 Precursor & DownStream Precursor 6 CAS#:100-63-0 Phenylhydrazine CAS#:5417-82-3 2-(1-Ethoxyethy... CAS#:1131-17-5 5-Chloro-3-Meth... CAS#:947-95-5 5-Chloro-3-meth... DownStream 3 CAS#:18093-92-0 3-methyl-1-phen... CAS#:1131-18-6 3-Methyl-1-phen... CAS#:50427-81-1 5-amino-3-methy... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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| 5-AMINO-3-METHYL-1-(2,3,5,6-TETRAFLUOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE | 1072944-90-1 | 2A-0142751 |
| 5-AMINO-3-METHYL-1-(3-NITROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE | 107842-58-0 | 2A-0142752 |
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| 5-AMINO-3-METHYL-1-(PERFLUOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE | 1072944-84-3 | 2A-0142754 |
| 5-AMINO-3-METHYLISOTHIAZOLE-4-CARBOXYLIC ACID | 22131-51-7 | 2A-0142760 |
| 5-AMINO-3-PYRIDINESULFONAMIDE | 62009-21-6 | 2A-0142765 |
| 5-AMINO-4,6-DIMETHYLPYRIMIDINE | 90856-77-2 | 2A-0142769 |
| 5-AMINO-4-CHLORO-3-METHYLISOTHIAZOLE | 96841-04-2 | 2A-0142778 |
| 5-AMINO-4-CYANO-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID | 1076197-28-8 | 2A-0142782 |
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