CAS Number50675-20-2
SynonymsHex-5-ynoic acid methyl ester; 5-Hexynoic acid, methyl ester; Methyl 5-hexynoate; pyridine-4-carboxaldehyde; Piperidine-4-carboxaldehyde; 4-piperidinecarboxaldehyde; 4-Formylpiperidine; Hex-5-ynoic acid, methyl ester; Methyl hex-5-ynoate; 4-pyridine-carboxaldehyde
Molecular FormulaC7H10O2
Molecular Weight191.25
Density1.0±0.1 g/cm3
Boiling Point156.2±23.0 °C at 760 mmHg
Appearancesolid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 50675-20-2 |
| Catalog No. | 2A-9070553 |
| Chinese Name | 哌啶-4-甲醛 |
| Synonyms | Hex-5-ynoic acid methyl ester; 5-Hexynoic acid, methyl ester; Methyl 5-hexynoate; pyridine-4-carboxaldehyde; Piperidine-4-carboxaldehyde; 4-piperidinecarboxaldehyde; 4-Formylpiperidine; Hex-5-ynoic acid, methyl ester; Methyl hex-5-ynoate; 4-pyridine-carboxaldehyde |
| Molecular Formula | C7H10O2 |
| Molecular Weight | 191.25 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 156.2±23.0 °C at 760 mmHg |
| Appearance | solid |
| HTC | 2933399090 |
| PubChem ID | 329796883 |
| MDL Number | MFCD11582937 |
| SMILES | CS(=O)(N1CCC(C=O)CC1)=O |
| InChI | 1S/C7H13NO3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h6-7H,2-5H2,1H3 |
| InChI Key | HRPDHOOLRWLRAR-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12352200 |
| 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:C6H11NO Molecular weight:113.2 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 Risk Phrases 36 Safety Phrases 26 RIDADR NONH for all modes of transport HS Code 2933399090 Synthetic Route 4-Piperidinemethanol CAS#:6457-49-4 Methyl 5-hexynoate CAS#:50675-20-2 Literature: Sasano, Yusuke; Nagasawa, Shota; Yamazaki, Mai; Shibuya, Masatoshi; Park, Jaiwook; Iwabuchi, Yoshiharu Angewandte Chemie - International Edition, 2014 , vol. 53, # 12 p. 3236 - 3240 Angew. Chem., 2014 , vol. 126, # 12 p. 3300 - 3304,5 1-Boc-piperidin... CAS#:137076-22-3 Methyl 5-hexynoate CAS#:50675-20-2 Literature: Iyobe; Uchida; Kamata; Hotel; Kusama; Harada Chemical and Pharmaceutical Bulletin, 2001 , vol. 49, # 7 p. 822 - 829 1-Boc-4-piperid... CAS#:123855-51-6 Methyl 5-hexynoate CAS#:50675-20-2 Literature: Iyobe; Uchida; Kamata; Hotel; Kusama; Harada Chemical and Pharmaceutical Bulletin, 2001 , vol. 49, # 7 p. 822 - 829 Precursor & DownStream Precursor 4 CAS#:6457-49-4 4-Piperidinemethanol CAS#:137076-22-3 1-Boc-piperidin... CAS#:123855-51-6 1-Boc-4-piperid... CAS#:1126-09-6 Ethyl Isonipecotate DownStream 1 CAS#:137076-22-3 1-Boc-piperidin... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933399090. other compounds containing an unfused pyridine 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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