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結(jié)構(gòu)式
             

CAS:    504-02-9
分子式:  C6H8O2
分子量:  112.13

中文名稱:  1,3-環(huán)己二酮

英文名稱:  1,3-Cyclohexanedione
                    Dihydroresorcinol
                    1,3-Dioxocyclohexane 

性質(zhì)描述:  棱狀晶體。熔點(diǎn)105-106℃。1,3-環(huán)己二酮溶于水、乙醇、丙酮、氯仿、沸苯，微溶于乙醚、二硫化碳。 

用途:  合成農(nóng)藥和醫(yī)藥的中間體，廣泛應(yīng)用于化工、醫(yī)藥、農(nóng)藥、航天等領(lǐng)域。

　　在農(nóng)業(yè)上，它是除草劑磺草酮、甲基磺草酮的中間體；

　　在醫(yī)藥行業(yè)，1,3-環(huán)己二酮是合成保護(hù)心血管的特效藥卡維地洛和止吐藥蒽丹西酮的重要中間體，還可用于合成依那朵林（enadoline）中間體4-苯并呋喃乙酸，用于合成鎮(zhèn)痛藥美他西諾(mePtazinol)的中間體3-甲氧基-2-環(huán)己烯酮，恩丹西酮(Ondansetron, Scheme 1)中間體的6-甲氧基-1,2,3,9-四氫-4H-咔唑-4-酮。

其它信息：
Product Identification
【Product Name】Dihydroresorcinol 1,3-環(huán)己二酮
【Synonyms】
1,3-Cyclohexanedione
Dihydroresorcinol
Hydroresorcinol
【CAS】504-02-9
【Formula】C6H8O2
【Molecular Weight】112.13
【EINECS】207-980-0
【Merck】13,3200
【Beilstein/Gmelin】385888
【Beilstein Reference】4-07-00-01985
Physical and Chemical Properties
【Appearance】Light yellow - beige powder
【Solubility in water】Very soluble
【Melting Point】105
【Boiling Point】235
【Vapor Pressure】0.05 (25 C)
【Density】1.25 g/cm3 (20 C)
【pKa/pKb】5.26
【Partition Coefficient】-0.89
【Heat Of Vaporization】47.2 kJ/mol
【Heat Of Combustion】-3079 kJ/mol
First Aid Measures
【Ingestion】Get medical aid. Wash mouth out with water.
【Inhalation】Remove from exposure to fresh air immediately.
【Skin】Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes.
【Eyes】Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower lids.
Handling and Storage
【Storage】Keep container closed when not in use. Refrigerator (approx 4 C).
【Handling】Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Hazards Identification
【Ingestion】May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
【Inhalation】May cause respiratory tract irritation.
【Skin】May cause skin irritation.
【Eyes】May cause eye irritation.
【EC Risk Phrase】R 22
【EC Safety Phrase】S 22 36/37
Fire Fighting Measures
【Fire Fighting】Wear approved SCBA in full pressure-demand and full protective gear. Extinguish fire using water, dry chemical, chemical foam, or alcohol-resistant foam.
Accidental Release Measures
【Small spills/leaks】Vacuum or sweep up material and place into a suitable disposal container.
Stability and Reactivity
【Disposal Code】3
【Stability】Stable under normal temperatures and pressures.
【Incompatibilities】Strong oxidizing agents.
【Decomposition】Carbon monoxide, carbon dioxide.
Transport Information
【HS Code】2914 29 00
Exposure Controls/Personal Protection
【Poison Class】4