CAS Number164161-49-3
SynonymsMethyl 5-(benzyloxy)-4-methoxy-2-nitrobenzoate; Benzoic acid, 4-methoxy-2-nitro-5-(phenylmethoxy)-, methyl ester; 4-methoxy-2-nitro-5-(phenylmethoxy)-benzoic acid,methyl ester; Methyl 5-benzyloxy-4-methoxy-2-nitrobenzoate
Molecular FormulaC16H15NO6
Molecular Weight317.293
Density1.3±0.1 g/cm3
Boiling Point482.4±40.0 °C at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 164161-49-3 |
| Catalog No. | 2A-9085991 |
| Chinese Name | 5-苄氧基-4-甲氧基-2-硝基苯甲酸甲酯 |
| Synonyms | Methyl 5-(benzyloxy)-4-methoxy-2-nitrobenzoate; Benzoic acid, 4-methoxy-2-nitro-5-(phenylmethoxy)-, methyl ester; 4-methoxy-2-nitro-5-(phenylmethoxy)-benzoic acid,methyl ester; Methyl 5-benzyloxy-4-methoxy-2-nitrobenzoate |
| Molecular Formula | C16H15NO6 |
| Molecular Weight | 317.293 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 482.4±40.0 °C at 760 mmHg |
| Storage Condition | 2-8°C |
| HTC | 2918990090 |
| SMILES | COC(=O)c1cc(OCc2ccccc2)c(OC)cc1[N+](=O)[O-] |
| InChI Key | SHQBNKDRVJNGDX-UHFFFAOYSA-N |
| 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:C16H15NO6 Molecular weight:317.3 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 Hazard Codes Xi HS Code 2918990090 Synthetic Route Methyl 5-hydrox... CAS#:215659-03-3 Benzyl bromide CAS#:100-39-0 Methyl 5-(benzy... CAS#:164161-49-3 Literature: Helal, Christopher J.; Kang, Zhijun; Hou, Xinjun; Pandit, Jayvardhan; Chappie, Thomas A.; Humphrey, John M.; Marr, Eric S.; Fennell, Kimberly F.; Chenard, Lois K.; Fox, Carol; Schmidt, Christopher J.; Williams, Robert D.; Chapin, Douglas S.; Siuciak, Judith; Lebel, Lorraine; Menniti, Frank; Cianfrogna, Julia; Fonseca, Kari R.; Nelson, Frederick R.; O Connor, Rebecca; MacDougall, Mary; McDowell, Laura; Liras, Spiros Journal of Medicinal Chemistry, 2011 , vol. 54, # 13 p. 4536 - 4547 Methyl isovanillate CAS#:6702-50-7 Benzyl bromide CAS#:100-39-0 Methyl 5-(benzy... CAS#:164161-49-3 Literature: KIRIN BEER KABUSHIKI KAISHA Patent: EP1153920 A1, 2001 ; METHYL 3-BENZYL... CAS#:57535-57-6 Methyl 5-(benzy... CAS#:164161-49-3 Precursor & DownStream Precursor 6 CAS#:215659-03-3 Methyl 5-hydrox... CAS#:100-39-0 Benzyl bromide CAS#:6702-50-7 Methyl isovanillate CAS#:57535-57-6 METHYL 3-BENZYL... DownStream 4 CAS#:50413-44-0 Methyl 2-amino-... CAS#:286371-64-0 7-methoxy-6-phe... CAS#:286371-65-1 6-(Benzyloxy)-4... CAS#:909912-09-0 2-amino-4-metho... |
| 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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