| Chemical & Physical Properties | |
|---|---|
| CAS Number | 5458-48-0 |
| Catalog No. | 2A-0108643 |
| Chinese Name | 4-环己基-1-硝基苯 |
| Synonyms | 1-cyclohexyl-4-nitrobenzene |
| Molecular Formula | ClC6H4NO2 |
| Molecular Weight | 157.55 |
| Purity | 99 |
| Density | 1.124g/cm3 |
| Boiling Point | 242 °C (lit.) |
| Melting Point | 80-83 °C (lit.) |
| Appearance | crystals |
| Storage Condition | Room temperature, sealed, dry |
| EINECS | 202-809-6 |
| HTC | 2904209090 |
| UN(IATA) | 0 |
| PubChem ID | 24892820 |
| MDL Number | MFCD00007285 |
| SMILES | [O-][N+](=O)c1ccc(Cl)cc1 |
| InChI | 1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H |
| InChI Key | CZGCEKJOLUNIFY-UHFFFAOYSA-N |
| Beilstein/REAXYS | 508691 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| MSDS | msds/108643_1_5458_48_0.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:C12H15NO2 Molecular weight:205.3 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 2904209090 Synthetic Route Cyclohexylbenze... 4-Cyclohexyl-1-... Literature: Mangold; Hanna Journal of Medicinal Chemistry, 1982 , vol. 25, # 6 p. 630 - 638 P-DINITROBENZEN... 9-cyclohexyl-9-... 53535-83-4 4-Cyclohexyl-1-... Literature: Palani; Jayaprakash, Karamil; Hoz, Shmaryahu Journal of Organic Chemistry, 2003 , vol. 68, # 11 p. 4388 - 4391 Cyclohexene 4-Cyclohexyl-1-... Literature: Journal of Organic Chemistry, , vol. 68, # 11 p. 4388 - 4391 Precursor & DownStream Precursor 10 CAS#:827-52-1 Cyclohexylbenzene CAS#:100-25-4 P-DINITROBENZENE CAS#:53535-83-4 9-cyclohexyl-9-... CAS#:110-83-8 Cyclohexene DownStream 10 CAS#:29030-57-7 Acetamide,N-(4-... CAS#:636-98-6 1-Iodo-4-nitrob... CAS#:6373-50-8 4-Cyclohexylaniline CAS#:25109-28-8 1-Bromo-4-cyclo... |
| Tax Rebate | 9.0% |
| Supervision | none |
| Transport Info | Product name: Summary 2904209090 derivatives containing only nitro or only nitroso groups. Supervision conditions:None. VAT: 17.0%. Tax rebate rate:9.0%. MFN tariff:5.5%. General tariff:30.0% |
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