CAS Number157942-12-6
Synonymsmethyl 3-hydroxy-4-methylbenzamide; 3-hydroxy-4-iodo-benzoic acid methyl ester; Benzoic acid, 3-hydroxy-4-iodo-, methyl ester; Methyl 3-hydroxy-4-iodobenzoate; Methyl-4-iodo-3-hydroxy benzoate; 4-IODO-3-HYDROXY BENZOATE METHYL ESTER
Molecular FormulaC8H7IO3
Molecular Weight278.05
Density1.9±0.1 g/cm3
Boiling Point299.3±25.0 °C at 760 mmHg
Melting Point53-54ºC
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 157942-12-6 |
| Catalog No. | 2A-9077445 |
| Chinese Name | 3-羟基-4-碘苯甲酸甲酯 |
| Synonyms | methyl 3-hydroxy-4-methylbenzamide; 3-hydroxy-4-iodo-benzoic acid methyl ester; Benzoic acid, 3-hydroxy-4-iodo-, methyl ester; Methyl 3-hydroxy-4-iodobenzoate; Methyl-4-iodo-3-hydroxy benzoate; 4-IODO-3-HYDROXY BENZOATE METHYL ESTER |
| Molecular Formula | C8H7IO3 |
| Molecular Weight | 278.05 |
| Density | 1.9±0.1 g/cm3 |
| Boiling Point | 299.3±25.0 °C at 760 mmHg |
| Melting Point | 53-54ºC |
| Storage Condition | 2-8°C, protected from light, inert gas |
| HTC | 2918290000 |
| PubChem ID | 15393537 |
| SMILES | COC(=O)c1ccc(I)c(O)c1 |
| InChI | InChI=1S/C8H7IO3/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,10H,1H3 |
| InChI Key | LXCQVWRESZDFGW-UHFFFAOYSA-N |
| 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 Not specified Appearance: Boiling point:No data Melting point:No data Flash point:No data Molecular formula:C8H7IO3 Molecular weight:278.0 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, hydrogen Iodide. 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 2918290000 Synthetic Route Methyl 4-amino-... CAS#:63435-16-5 Methyl 3-hydrox... CAS#:157942-12-6 Literature: Nguyen, Diem N.; Stump, Craig A.; Walsh, Eileen S.; Fernandes, Christine; Davide, Joseph P.; Ellis-Hutchings, Michelle; Robinson, Ronald G.; Williams, Theresa M.; Lobell, Robert B.; Huber, Hans E.; Buser, Carolyn A. Bioorganic and Medicinal Chemistry Letters, 2002 , vol. 12, # 9 p. 1269 - 1273 CAS#:67-56-1 3-Hydroxy-4-iod... CAS#:58123-77-6 Methyl 3-hydrox... CAS#:157942-12-6 Literature: Rankine, Damien; Avellaneda, Antonio; Doonan, Christian J.; Sumby, Christopher J.; Hill, Matthew R. Chemical Communications (Cambridge, United Kingdom), 2012 , vol. 48, # 83 p. 10328 - 10330,3 3-Hydroxy-4-iod... CAS#:58123-77-6 p-Toluenesulfon... CAS#:104-15-4 Methyl 3-hydrox... CAS#:157942-12-6 Precursor & DownStream Precursor 6 CAS#:63435-16-5 Methyl 4-amino-... CAS#:67-56-1 CAS#:58123-77-6 3-Hydroxy-4-iod... CAS#:104-15-4 p-Toluenesulfon... DownStream 8 CAS#:35387-92-9 Methyl 4-iodo-3... CAS#:77095-51-3 Benzofuran-6-ca... CAS#:162401-62-9 3-Cyclopropylme... CAS#:162401-32-3 Roflumilast |
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