| Chemical & Physical Properties | |
|---|---|
| CAS Number | 54605-72-0 |
| Catalog No. | 2A-9044234 |
| Chinese Name | 1-苯基-1H-吡唑-4-甲醛 |
| Synonyms | MFCD02179568; 1-phenylpyrazole-4-carbaldehyde; 1-Phenyl-1H-pyrazole-4-carboxaldehyde |
| Molecular Formula | C10H8N2O |
| Molecular Weight | 172.18 |
| Purity | 98.00 |
| Density | 1.15g/cm3 |
| Boiling Point | 312.7ºC at 760 mmHg |
| Melting Point | 84-88 °C |
| Appearance | solid |
| Water Solubility | Soluble in: Toluene |
| Storage Condition | Store under inert gas; avoid air |
| HTC | 2933199090 |
| PubChem ID | 329776365 |
| MDL Number | MFCD02179568 |
| SMILES | O=Cc1cnn(c1)-c2ccccc2 |
| InChI | 1S/C10H8N2O/c13-8-9-6-11-12(7-9)10-4-2-1-3-5-10/h1-8H |
| InChI Key | PHVRLPFVPVKYOI-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12352200 |
| MSDS | msds/44234_1_54605_72_0.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: Melting point:No data Flash point:No data Molecular formula: C10H8N2O Molecular weight: 172.2 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 Signal Word Warning Hazard Statements H315-H319-H335 Precautionary Statements P261-P305 + P351 + P338 Hazard Codes Xi: Irritant; RIDADR NONH for all modes of transport HS Code 2933199090 Synthetic Route 1-Phenylpyrazol... N,N-Dimethylfor... 1-Phenyl-1H-pyr... 54605-72-0 Literature: Vera-DiVaio, Maria A.F.; Freitas, Antonio C.C.; Castro, Helena C.; de Albuquerque, Sergio; Cabral, Lucio M.; Rodrigues, Carlos R.; Albuquerque, Magaly G.; Martins, Rita C.A.; Henriques, Maria G.M.O.; Dias, Luiza R.S. Bioorganic and Medicinal Chemistry, 2009 , vol. 17, # 1 p. 295 - 302 1-Phenylpyrazol... sodium carbonat... 1-Phenyl-1H-pyr... 54605-72-0 Literature: Dos Santos, Mauricio S.; Gomes, Adriana O.; Bernardino, Alice M. R.; De Souza, Marcos C.; Khan, Misbahul A.; De Brito, Monique A.; Castro, Helena C.; Abreu, Paula A.; Rodrigues, Carlos R.; De Leo, Rosa M. M.; Leon, Leonor L.; Canto-Cavalheirr, Marilene M. Journal of the Brazilian Chemical Society, 2011 , vol. 22, # 2 p. 352 - 358 2-methylthiopyr... 130161-49-8 1-Phenyl-1H-pyr... 54605-72-0 Literature: Takagi, K.; Bajnati, A.; Hubert-Habart, M. Bulletin de la Societe Chimique de France, 1990 , # 5 p. 660 - 666 Precursor & DownStream Precursor 7 CAS#:1126-00-7 1-Phenylpyrazole CAS#:68-12-2 N,N-Dimethylfor... CAS#:497-19-8 sodium carbonate CAS#:18655-47-5 Triformylmethane DownStream 9 CAS#:3968-40-9 1-(1-Phenyl-1h-... CAS#:2600-64-8 4-ethenyl-1-phe... CAS#:70817-26-4 (1-Phenyl-1H-py... CAS#:100142-73-2 3-(1-PHENYL-1H-... |
| 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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