CAS Number1196-90-3
SynonymsAGN-PC-008U76; 4-Brom-1-methyl-pyrrol-2-carbonsaeure-methylester; MFCD08275077; 4-Bromo-1-methyl-1H-pyrrole-2-carboxylic acid methyl ester; METHYL 4-BROMO-1-METHYL-1H-PYRROLE-2-CARBOXYLATE; ACMC-1BVSN; CTK4B1444
Molecular FormulaC7H8BrNO2
Molecular Weight218.05
Density1.53g/cm3
Boiling Point263.1ºC at 760mmHg
Melting Point63-65ºC
Appearancesolid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1196-90-3 |
| Catalog No. | 2A-9075992 |
| Chinese Name | 4-溴-1-甲基-1H-吡咯-2-羧酸甲酯 |
| Synonyms | AGN-PC-008U76; 4-Brom-1-methyl-pyrrol-2-carbonsaeure-methylester; MFCD08275077; 4-Bromo-1-methyl-1H-pyrrole-2-carboxylic acid methyl ester; METHYL 4-BROMO-1-METHYL-1H-PYRROLE-2-CARBOXYLATE; ACMC-1BVSN; CTK4B1444 |
| Molecular Formula | C7H8BrNO2 |
| Molecular Weight | 218.05 |
| Density | 1.53g/cm3 |
| Boiling Point | 263.1ºC at 760mmHg |
| Melting Point | 63-65ºC |
| Appearance | solid |
| Storage Condition | room temperature, dry |
| HTC | 2933990090 |
| PubChem ID | 329772854 |
| MDL Number | MFCD08275077 |
| SMILES | COC(=O)c1cc(Br)cn1C |
| InChI | 1S/C7H8BrNO2/c1-9-4-5(8)3-6(9)7(10)11-2/h3-4H,1-2H3 |
| InChI Key | XYZFZMSLKMPMGW-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12352200 |
| MSDS | msds/75992_1_1196_90_3.pdf |
| 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:C7H8BrNO2 Molecular weight:218.0 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen bromide. 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 2933990090 Synthetic Route Sodium Methylate CAS#:124-41-4 1-(4-BROMO-1-ME... CAS#:184643-69-4 Methyl 4-bromo-... CAS#:1196-90-3 CAS#:67-56-1 1-(4-BROMO-1-ME... CAS#:184643-69-4 Methyl 4-bromo-... CAS#:1196-90-3 Literature: Rahman, Khondaker M.; Jackson, Paul J. M.; James, Colin H.; Basu, B. Piku; Hartley, John A.; De La Fuente, Maria; Schatzlein, Andreas; Robson, Mathew; Pedley, R. Barbara; Pepper, Chris; Fox, Keith R.; Howard, Philip W.; Thurston, David E. Journal of Medicinal Chemistry, 2013 , vol. 56, # 7 p. 2911 - 2935 2-trichloroacet... CAS#:21898-65-7 Methyl 4-bromo-... CAS#:1196-90-3 Literature: Journal of Organic Chemistry, , vol. 69, # 23 p. 8151 - 8153 Precursor & DownStream Precursor 5 CAS#:124-41-4 Sodium Methylate CAS#:184643-69-4 1-(4-BROMO-1-ME... CAS#:67-56-1 CAS#:21898-65-7 2-trichloroacet... DownStream 2 CAS#:77716-11-1 4-tert-butoxyca... CAS#:126092-96-4 1H-PYRROLE-2-CA... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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