CAS Number4857-42-5
Synonyms3-Methyl-1,2-oxazole-5-carboxylic acid; 3-Methylisoxazole-5-Carboxylic Acid
Molecular FormulaC5H5NO3
Molecular Weight127.1
Purity98.00%
Density1.3±0.1 g/cm3
Boiling Point307.8±22.0 °C at 760 mmHg
Melting Point206 °C(dec.)
AppearanceSolid;White to Almost white powder to crystal
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 4857-42-5 |
| Catalog No. | 2A-9031272 |
| Chinese Name | 3-甲基异恶唑-5-甲酸 |
| Synonyms | 3-Methyl-1,2-oxazole-5-carboxylic acid; 3-Methylisoxazole-5-Carboxylic Acid |
| Molecular Formula | C5H5NO3 |
| Molecular Weight | 127.1 |
| Purity | 98.00 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 307.8±22.0 °C at 760 mmHg |
| Melting Point | 206 °C(dec.) |
| Appearance | Solid;White to Almost white powder to crystal |
| Storage Condition | room temperature |
| HTC | 2934999090 |
| MDL Number | MFCD00464222 |
| SMILES | Cc1cc(C(=O)O)on1 |
| InChI Key | HXIYCKAAQPHZBM-UHFFFAOYSA-N |
| MSDS | msds/31272_1_4857_42_5.pdf |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels, under −20◦C. 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:C5H5NO3 Molecular weight:127.1 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 HS Code 2934999090 Synthetic Route ethyl 3-methyl-... 63366-79-0 3-Methyl-1,2-ox... 3-Methyl-5-Isox... 14716-89-3 3-Methyl-1,2-ox... Literature: Choi, Min Jeong; No, Eun Sun; Thorat, Dhanaji Achyutrao; Jang, Jae Wan; Yang, Hakkyun; Lee, Jaeick; Choo, Hyunah; Kim, Soo Jin; Lee, Chang Sik; Ko, Soo Young; Lee, Jiyoun; Nam, Ghilsoo; Pae, Ae Nim Journal of Medicinal Chemistry, 2013 , vol. 56, # 22 p. 9008 - 9018 4-methoxy-4-met... 135351-18-7 3-Methyl-1,2-ox... Literature: Martins, Marcos A. P.; Flores, Alex F. C.; Bastos, Giovani P.; Sinhorin, Adilson; Bonacorso, Helio G.; Zanatta, Nilo Tetrahedron Letters, 2000 , vol. 41, # 3 p. 293 - 297 Precursor & DownStream Precursor 8 CAS#:63366-79-0 ethyl 3-methyl-... CAS#:14716-89-3 3-Methyl-5-Isox... CAS#:135351-18-7 4-methoxy-4-met... CAS#:135351-22-3 3-methyl-5-(tri... DownStream 4 CAS#:49783-72-4 3-Methyl-5-isox... CAS#:402-61-9 5-Methyl-1H-pyr... CAS#:63366-79-0 ethyl 3-methyl-... CAS#:14716-89-3 3-Methyl-5-Isox... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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