| Chemical & Physical Properties | |
|---|---|
| CAS Number | 78515-16-9 |
| Catalog No. | 2A-9048232 |
| Chinese Name | 5-甲酰基-2-甲氧基苯甲酸甲酯 |
| Synonyms | Methyl 5-formyl-2-methoxybenzoate; Benzoic acid, 5-formyl-2-methoxy-, methyl ester; Eluxadoline Intermediate 3 |
| Molecular Formula | C10H10O4 |
| Molecular Weight | 194.19 |
| Purity | 98.00 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 332.3±27.0 °C at 760 mmHg |
| Storage Condition | 2-8°C, inert gas atmosphere |
| HTC | 2918990090 |
| PubChem ID | 15899497 |
| SMILES | COC(=O)c1cc(C=O)ccc1OC |
| InChI | InChI=1S/C10H10O4/c1-13-9-4-3-7(6-11)5-8(9)10(12)14-2/h3-6H,1-2H3 |
| InChI Key | CNRMXICSYWVJRD-UHFFFAOYSA-N |
| Use of | health and chemical hazard data given on this sheet. 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: Flash point:No data Molecular formula:C10H10O4 Molecular weight:194.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide. 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 2918990090 Synthetic Route 5-Formyl-2-hydr... CAS#:616-76-2 methyl iodide CAS#:74-88-4 Methyl 5-formyl... CAS#:78515-16-9 5-Formyl-2-hydr... CAS#:616-76-2 Dimethyl sulfate CAS#:77-78-1 Methyl 5-formyl... CAS#:78515-16-9 Literature: Flaherty, Daniel P.; Walsh, Shannon M.; Kiyota, Tomomi; Dong, Yuxiang; Ikezu, Tsuneya; Vennerstrom, Jonathan L. Journal of Medicinal Chemistry, 2007 , vol. 50, # 20 p. 4986 - 4992 Methyl 5-formyl... CAS#:41489-76-3 methyl iodide CAS#:74-88-4 Methyl 5-formyl... CAS#:78515-16-9 Literature: Filler, Robert; Lin, Shan; Zhang, Zhaoxu Journal of Fluorine Chemistry, 1995 , vol. 74, p. 69 - 76 Precursor & DownStream Precursor 4 CAS#:616-76-2 5-Formyl-2-hydr... CAS#:74-88-4 methyl iodide CAS#:77-78-1 Dimethyl sulfate CAS#:41489-76-3 Methyl 5-formyl... DownStream 3 CAS#:24550-59-2 Methyl 5-(cyano... CAS#:84923-70-6 5-Formyl-2-meth... CAS#:7252-24-6 methyl 5-(chlor... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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