CAS Number221040-07-9
Synonyms5-benzyloxy-2-nitro-fluorobenzene; PC7128; 4-benzyloxy-2-fluoronitrobenzene; 2-fluoro-4-benzyloxynitrobenzene; 4-Benzyloxy-2-fluoro-1-nitrobenzene
Molecular FormulaBrC6H3(F)NO2
Molecular Weight220.00
Purity96%
Density1.299g/cm3
Boiling Point240-241 °C (lit.)
Melting Point18-19 °C (lit.)
EINECS0
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 221040-07-9 |
| Catalog No. | 2A-0135596 |
| Chinese Name | 4-苄氧基-2-氟-1-硝基苯 |
| Synonyms | 5-benzyloxy-2-nitro-fluorobenzene; PC7128; 4-benzyloxy-2-fluoronitrobenzene; 2-fluoro-4-benzyloxynitrobenzene; 4-Benzyloxy-2-fluoro-1-nitrobenzene |
| Molecular Formula | BrC6H3(F)NO2 |
| Molecular Weight | 220.00 |
| Purity | 96 |
| Density | 1.299g/cm3 |
| Boiling Point | 240-241 °C (lit.) |
| Melting Point | 18-19 °C (lit.) |
| EINECS | 0 |
| HTC | 2909309090 |
| UN(IATA) | 0 |
| PubChem ID | 24878380 |
| MDL Number | MFCD00129165 |
| SMILES | [O-][N+](=O)c1cc(Br)ccc1F |
| InChI | 1S/C6H3BrFNO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H |
| InChI Key | UQEANKGXXSENNF-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| MSDS | msds/135596_1_221040_07_9.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 Appearance:Not specified Boiling point: Melting point:No data Flash point:No data Molecular formula: C13H10FNO3 Molecular weight: 247.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen fluoride. 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 Proper shipping name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S. (4-Benzyloxy-2-fluoro-1-nitrobenzene) 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 2909309090 Synthetic Route Total: 1 Page 3-Fluoro-4-nitr... CAS#:394-41-2 Benzyl bromide CAS#:100-39-0 4-(BENZYLOXY)-2... CAS#:221040-07-9 Literature: Hutchinson, Douglas K.; Rosenberg, Teresa; Klein, Larry L.; Bosse, Todd D.; Larson, Daniel P.; He, Wenping; Jiang, Wen W.; Kati, Warren M.; Kohlbrenner, William E.; Liu, Yaya; Masse, Sherie V.; Middleton, Tim; Molla, Akhteruzzaman; Montgomery, Debra A.; Beno, David W.A.; Stewart, Kent D.; Stoll, Vincent S.; Kempf, Dale J. Bioorganic and Medicinal Chemistry Letters, 2008 , vol. 18, # 14 p. 3887 - 3890 3-Fluoro-4-nitr... CAS#:394-41-2 Benzyl bromide CAS#:100-39-0 Tetrabutylammon... CAS#:311-28-4 4-(BENZYLOXY)-2... CAS#:221040-07-9 Precursor & DownStream Precursor 3 CAS#:394-41-2 3-Fluoro-4-nitr... CAS#:100-39-0 Benzyl bromide CAS#:311-28-4 Tetrabutylammon... DownStream 1 CAS#:496837-94-6 N-methyl-2-nitr... |
| Tax Rebate | 9.0% |
| Supervision | none |
| Transport Info | Product name: Summary 2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
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