CAS Number22117-85-7
Synonyms2-Methoxy-benzoesaeure-sulfonamid-(5); 2-Methoxy-5-sulfonylbenzoic acid; MFCD00129997; 2-Methoxy-5-Sulfamoylbenzoic Acid; 5-Sulphamoyl-o-anisic acid; 6-methoxy-3-sulfamoylbenzoic acid; 2-Methoxy-5-sulfamoyl-benzoesaeure; 5-Aminosulfonyl-2-methoxybenzoic acid; 2-methoxy-5-sulphamoyl-benzoic acid; 2-methoxy-5-sulfamoyl-benzoic acid; EINECS 244-789-1
Molecular FormulaC8H9O5N1S1
Molecular Weight231.23
Purity98.00%
Density1.25 g/mL at 25 °C(lit.)
Boiling Point82-85 °C11 mm Hg(lit.)
Melting Point82-85°C(11 mmHg)
AppearanceSolid;White to Light yellow powder to crystal
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 22117-85-7 |
| Catalog No. | 2A-9038884 |
| Chinese Name | 2-甲氧基-5-氨磺酰苯甲酸 |
| Synonyms | 2-Methoxy-benzoesaeure-sulfonamid-(5); 2-Methoxy-5-sulfonylbenzoic acid; MFCD00129997; 2-Methoxy-5-Sulfamoylbenzoic Acid; 5-Sulphamoyl-o-anisic acid; 6-methoxy-3-sulfamoylbenzoic acid; 2-Methoxy-5-sulfamoyl-benzoesaeure; 5-Aminosulfonyl-2-methoxybenzoic acid; 2-methoxy-5-sulphamoyl-benzoic acid; 2-methoxy-5-sulfamoyl-benzoic acid; EINECS 244-789-1 |
| Molecular Formula | C8H9O5N1S1 |
| Molecular Weight | 231.23 |
| Purity | 98.00 |
| Density | 1.25 g/mL at 25 °C(lit.) |
| Boiling Point | 82-85 °C11 mm Hg(lit.) |
| Melting Point | 82-85°C(11 mmHg) |
| Appearance | Solid;White to Light yellow powder to crystal |
| Water Solubility | insoluble |
| Storage Condition | Keep receptacles sealed Place in a tight container |
| HTC | 2935009090 |
| MDL Number | MFCD00129997 |
| SMILES | COc1ccc(S(N)(=O)=O)cc1C(=O)O |
| InChI | InChI=1S/C8H9NO5S/c1-14-7-3-2-5(15(9,12)13)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)(H2,9,12,13)/p-1 |
| InChI Key | SQAILWDRVDGLGY-UHFFFAOYSA-N |
| MSDS | msds/38884_1_22117_85_7.pdf |
| Use of | health and chemical hazard data given on this sheet. Storage: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 Not specified Appearance: Boiling point:No data Melting point:No data Flash point:No data Molecular formula:C8H9NO5S Molecular weight:231.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, sulfur 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 Hazard Codes Xi: Irritant; HS Code 2935009090 Synthetic Route Total: 1 Page Methyl 2-Methox... CAS#:33045-52-2 2-Methoxy-5-sul... CAS#:22117-85-7 Literature: Institute of Medicinal Molecular Design, Inc. Patent: EP1510207 A1, 2005 ; Location in patent: Page/Page column 134 ; EP 1510207 A1 Title/Abstract Full Text Show Details Institute of Medicinal Molecular Design, Inc. Patent: EP1510210 A1, 2005 ; Location in patent: Page/Page column 134 ; 5-Chlorosulfony... CAS#:51904-91-7 2-Methoxy-5-sul... CAS#:22117-85-7 Literature: Harrold, Marc W.; Wallace, Raye Ann; Farooqui, Tahira; Wallace, Lane J.; Uretsky, Norman; Miller, Duane D. Journal of Medicinal Chemistry, 1989 , vol. 32, # 4 p. 874 - 880 2-Methoxybenzoi... CAS#:579-75-9 2-Methoxy-5-sul... CAS#:22117-85-7 Literature: Journal of Medicinal Chemistry, , vol. 32, # 4 p. 874 - 880 Precursor & DownStream Precursor 3 CAS#:33045-52-2 Methyl 2-Methox... CAS#:51904-91-7 5-Chlorosulfony... CAS#:579-75-9 2-Methoxybenzoi... DownStream 4 CAS#:33045-52-2 Methyl 2-Methox... CAS#:15676-16-1 CAS#:67833-50-5 5-(aminosulphon... CAS#:52542-44-6 5-(aminosulphon... Preparation |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 35.0% |
| Transport Info | Product name: Summary 2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0% |
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