中文名 | 环丁烷-1,2-二甲酸酐 |
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英文名 | 3-Oxabicyclo[3.2.0]heptane-2,4-dione |
中文别名 |
环丁烷-1,2-二酸酐
全氢环丁[C]呋喃-1,3-二酮 |
英文别名 |
Perhydrocyclobuta[c]furan-1,3-dione
Cyclobutane-1,2-dicarboxylic anhydride 3-Oxabicyclo[3.2.0]heptane-2,4-dione |
密度 | 1.4±0.1 g/cm3 |
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沸点 | 271.5±0.0 °C at 760 mmHg |
熔点 | 73 ℃ |
分子式 | C6H6O3 |
分子量 | 126.110 |
闪点 | 139.4±15.9 °C |
精确质量 | 126.031693 |
PSA | 43.37000 |
LogP | -0.89 |
蒸汽压 | 0.0±0.5 mmHg at 25°C |
折射率 | 1.530 |
储存条件 | 2-8°C,惰性气体保存 |
计算化学 | 1.疏水参数计算参考值(XlogP):0.1 2.氢键供体数量:0 3.氢键受体数量:3 4.可旋转化学键数量:0 5.互变异构体数量:3 6.拓扑分子极性表面积:43.4 7.重原子数量:9 8.表面电荷:0 9.复杂度:165 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:2 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
Synonym:Cyclobutane-1,2-dicarboxylic acid anhydrid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Moisture sensitive. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Treat symptomatically and supportively. Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use foam, dry chemical, or carbon dioxide. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Store under an inert atmosphere. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 4462-96-8: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 60 - 65 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C6H6O3 Molecular Weight: 126 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials, exposure to moist air or water. Incompatibilities with Other Materials: Oxidizing agents, bases, amines. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, acrid smoke and fumes. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 4462-96-8 unlisted. LD50/LC50: Not available. Carcinogenicity: Perhydrocyclobuta[c]furan-1,3-dione - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 4462-96-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 4462-96-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 4462-96-8 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
~72% 4462-96-8 |
文献:Faure, Sophie; Jensen, Anders A.; Maurat, Vincent; Gu, Xin; Sagot, Emmanuelle; Aitken, David J.; Bolte, Jean; Gefflaut, Thierry; Bunch, Lennart Journal of Medicinal Chemistry, 2006 , vol. 49, # 22 p. 6532 - 6538 |
~98% 4462-96-8 |
文献:Tufariello, Joseph J.; Milowsky, Arnold S.; Al-Nuri, Mohammed; Goldstein, Steven Tetrahedron Letters, 1987 , vol. 28, # 3 p. 267 - 270 |
~% 4462-96-8 |
文献:Buchman et al. Journal of the American Chemical Society, 1942 , vol. 64, p. 2696,2697 |
~% 4462-96-8 |
文献:Schneider, Manfred; Engel, Norbert; Hoenicke, Petra; Heinemann, Gerd; Goerisch, Helmut Angewandte Chemie, 1984 , vol. 96, # 1 p. 55 - 56 |
~% 4462-96-8 |
文献:Earl, Harold A.; Stirling, Charles J. M. Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1987 , p. 1273 - 1280 |
上游产品 6 | |
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下游产品 10 | |
海关编码 | 2917209090 |
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中文概述 | HS:2917209090 其他(环烷、环烯、环萜烯)多元羧酸 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 最惠国关税:6.5% 普通关税:30.0% |
申报要素 | 品名, 成分含量, 用途, 对苯二甲酸请注明4-CBA值, 对苯二甲酸请注明P-TL酸值, 对苯二甲酸请注明色度, 对苯二甲酸请注明水分 |
监管条件 | A.入境货物通关单 B.出境货物通关单 |
检验检疫 | R.进口食品卫生监督检验 S.出口食品卫生监督检验 |
Summary | 2917209090 other cyclanic, cyclenic or cyclotherpenic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0% |