CAS Number3469-06-5
SynonymsBenzocyclobuten-1(2H)-one; benzocyclobutanone; cyclobutabenzene-1-one; benzocyclobuten-1-one; AC-101; 1-oxobenzocyclobutene; BenzoCyclobutenone; Bicyclo[4.2.0]octa-1,3,5-trien-7-one
Molecular FormulaC8H6O
Molecular Weight118.136
Purity98.00%
Density1.2±0.1 g/cm3
Boiling Point219.6±20.0 °C at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 3469-06-5 |
| Catalog No. | 2A-9029842 |
| Chinese Name | 苯并环丁烯酮 |
| Synonyms | Benzocyclobuten-1(2H)-one; benzocyclobutanone; cyclobutabenzene-1-one; benzocyclobuten-1-one; AC-101; 1-oxobenzocyclobutene; BenzoCyclobutenone; Bicyclo[4.2.0]octa-1,3,5-trien-7-one |
| Molecular Formula | C8H6O |
| Molecular Weight | 118.136 |
| Purity | 98.00 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 219.6±20.0 °C at 760 mmHg |
| Storage Condition | 2-8°C |
| HTC | 3902200000 |
| PubChem ID | 429502 |
| MDL Number | MFCD01652340 |
| SMILES | O=C1Cc2ccccc21 |
| InChI | InChI=1S/C8H6O/c9-8-5-6-3-1-2-4-7(6)8/h1-4H,5H2 |
| InChI Key | XOGFXHMYHKGOGP-UHFFFAOYSA-N |
| MSDS | msds/29842_1_3469_06_5.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:C8H6O Molecular weight:118.1 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide. 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 3902200000 Synthetic Route 6-methylene-2,4... 38382-55-7 dimethyl maleat... Bicyclo[4.2.0]o... Dimethyl 1-Hydr... 36112-45-5 Literature: Tetrahedron Letters, , vol. 25, # 21 p. 2201 - 2204 6-methylene-2,4... 38382-55-7 Bicyclo[4.2.0]o... 1H-2-Benzopyran... 91416-31-8 Literature: Tetrahedron Letters, , vol. 25, # 21 p. 2201 - 2204 6-methylene-2,4... 38382-55-7 Dimethyl fumara... Bicyclo[4.2.0]o... 91416-33-0 Literature: Tetrahedron Letters, , vol. 25, # 21 p. 2201 - 2204 Precursor & DownStream Precursor 8 CAS#:933-88-0 O-Toluoylchloride CAS#:68913-13-3 8,8-dichlorobic... CAS#:81447-53-2 7,7-Dimethoxybi... CAS#:108-86-1 Bromobenzene DownStream 10 CAS#:39615-34-4 CYCLOPROPYL 2-M... CAS#:142532-18-1 7-(4-methoxyphe... CAS#:21083-39-6 5,11-dihydrodib... CAS#:78752-32-6 8-trimethylsily... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 5.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary 2914299000. other cyclanic, cyclenic or cyclootherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0% |
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