| Chemical & Physical Properties | |
|---|---|
| CAS Number | 81721-86-0 |
| Catalog No. | 2A-9079079 |
| Chinese Name | 7-硝基2H-苯并[b][1,4]噁嗪-3(4H)-酮 |
| Synonyms | 7-nitro-4H-1,4-benzoxazin-3-one |
| Molecular Formula | C8H6N2O4 |
| Molecular Weight | 194.14 |
| Purity | 97 |
| Density | 1.474g/cm3 |
| Boiling Point | 429.4ºC at 760 mmHg |
| Melting Point | 236-240 °C |
| Appearance | solid |
| Storage Condition | room temperature |
| HTC | 2934999090 |
| PubChem ID | 24884584 |
| MDL Number | MFCD03425744 |
| SMILES | [O-][N+](=O)c1ccc2OCC(=O)Nc2c1 |
| InChI | 1S/C8H6N2O4/c11-8-4-14-7-2-1-5(10(12)13)3-6(7)9-8/h1-3H,4H2,(H,9,11) |
| InChI Key | UNYXDJBNODSRRC-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| MSDS | msds/79079_1_81721_86_0.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:C8H6N2O4 Molecular weight:194.1 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 HS Code 2934999090 Synthetic Route Chloroacetyl ch... CAS#:79-04-9 2-AMINO-5-NITROPENOL CAS#:121-88-0 7-NITRO-2H-BENZ... CAS#:81721-86-0 Literature: Lee, Jeewoo; Tran, Phuong-Thao; Hoang, Van-Hai; Thorat, Shivaji A.; Kim, Sung Eun; Ann, Jihyae; Chang, Yu Jin; Nam, Dong Woo; Song, Hyundong; Mook-Jung, Inhee; Lee, Jiyoun Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 13 p. 3821 - 3830 ethyl 2-bromoacetate CAS#:105-36-2 2-AMINO-5-NITROPENOL CAS#:121-88-0 7-NITRO-2H-BENZ... CAS#:81721-86-0 Literature: Shridhar; Gandhi Rao Synthesis, 1982 , vol. No. 11, p. 986 - 987 Methyl bromoacetate CAS#:96-32-2 2-AMINO-5-NITROPENOL CAS#:121-88-0 7-NITRO-2H-BENZ... CAS#:81721-86-0 Precursor & DownStream Precursor 6 CAS#:79-04-9 Chloroacetyl ch... CAS#:121-88-0 2-AMINO-5-NITROPENOL CAS#:105-36-2 ethyl 2-bromoacetate CAS#:96-32-2 Methyl bromoacetate DownStream 6 CAS#:141068-80-6 4-Methyl-7-Nitr... CAS#:220844-82-6 4-Methyl-3,4-Di... CAS#:120711-81-1 7-Nitro-3,4-dih... CAS#:26215-14-5 7-Amino-2H-1,4-... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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