| Chemical & Physical Properties | |
|---|---|
| CAS Number | 4513-77-3 |
| Catalog No. | 2A-9003489 |
| Chinese Name | 2-氧环己烷腈 |
| Synonyms | 2-oxocyclohexanecarbonitrile; 2-Cyanocyclohexanone; 1-Cyano-2-oxocyclohexane |
| Molecular Formula | C7H9NO |
| Molecular Weight | 123.15200 |
| Purity | 85 |
| Density | 1.05g/cm3 |
| Boiling Point | 270.8ºC at 760mmHg |
| Melting Point | 290ºC |
| Appearance | Colorless to yellow liquid |
| Storage Condition | 2-8°C, dry |
| HTC | 2926909090 |
| SMILES | N#CC1CCCCC1=O |
| InChI | InChI=1S/C7H9NO/c8-5-6-3-1-2-4-7(6)9/h6H,1-4H2 |
| InChI Key | RWMVCOUKVCLWIC-UHFFFAOYSA-N |
| MSDS | msds/3489_1_4513_77_3.pdf |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels, refrigerated. 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:C7H9NO Molecular weight:123.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. 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 2926909090 Synthetic Route 1-pyrrolidinocy... Cyanogen chlori... Cyclohexanecarb... Literature: Tenora, Lukas; Buchlovic, Marian; Man, Stanislav; Potacek, Milan Tetrahedron Letters, 2011 , vol. 52, # 3 p. 401 - 403 Pimelonitrile Cyclohexanecarb... Literature: Jahnke, Astrid; Burschka, Christian; Tacke, Reinhold; Kraft, Philip Synthesis, 2009 , # 1 p. 62 - 68 2-(pyrrolidin-1... 160361-75-1 Cyclohexanecarb... Literature: Buttke; Niclas Advanced Synthesis and Catalysis, 1996 , vol. 338, # 7 p. 681 - 683 Precursor & DownStream Precursor 10 CAS#:1125-99-1 1-pyrrolidinocy... CAS#:506-77-4 Cyanogen chloride CAS#:646-20-8 Pimelonitrile CAS#:160361-75-1 2-(pyrrolidin-1... DownStream 10 CAS#:35042-48-9 5,6,7,8-TETRAHY... CAS#:3580-38-9 2-Benzoylcycloh... CAS#:19912-56-2 8-methyl-7-oxo-... CAS#:111-16-0 Pimelic acid |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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