5307-99-3

• 常用中文名：7,7-二氯二环[3.2.0]庚-2-烯-6-酮
• 常用英文名：7,7-dichlorobicyclo(3.2.0)hept-2-en-6-one
• CAS号：5307-99-3
• 分子式：C₇H₆Cl₂O
• 分子量：177.028
• 发布时间：2018-12-28 07:11:55
• 更新时间：2024-01-05 10:30:36

名称

• 中文名: 7,7-二氯二环[3.2.0]庚-2-烯-6-酮
• 英文名: 7,7-dichlorobicyclo[3.2.0]hept-2-en-6-one
• 英文别名: EINECS 226-165-0; MFCD00013738; 7,7-dichlorobicyclo(3.2.0)hept-2-en-6-one; Bicyclo[3.2.0]hept-2-en-6-one, 7,7-dichloro-; 7,7-DICHLOROBICYCLO[3.2.0]HEPT-2-EN-6-ONE; 6,6-dichlorobicyclo[3.2.0]hept-3-en-7-one

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 274.8±35.0 °C at 760 mmHg
• 分子式: C₇H₆Cl₂O
• 分子量: 177.028
• 闪点: 114.1±26.5 °C
• 精确质量: 175.979568
• PSA: 17.07000
• LogP: 0.56
• 外观性状: 透明棕色液体
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.569
• 储存条件:

  4℃ 避光，阴凉干燥处，密封保存

• 稳定性:

  常温常压下稳定

• 分子结构:

  分子性质数据：

  1、 摩尔折射率：40.02

  2、 摩尔体积（m³/mol）：122.5

  3、 等张比容（90.2K）：314.1

  4、 表面张力（dyne/cm）：43.6

  5、 极化率（10 ^-24cm ³）：15.86

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.9

  2.氢键供体数量:0

  3.氢键受体数量:1

  4.可旋转化学键数量:0

  5.互变异构体数量:2

  6.拓扑分子极性表面积17.1

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:220

  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

• 更多:

  1. 性状：未确定

  2. 密度（g/mL,25/4℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：58-64

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：127-128

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（kPa,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定。

MSDS

Name: 7 7-Dichlorobicyclo(3.2.0)hept-2-enone Material Safety Data Sheet Synonym: None CAS: 5307-99-3 Section 1 - Chemical Product MSDS Name:7 7-Dichlorobicyclo(3.2.0)hept-2-enone Material Safety Data Sheet Synonym:None Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 5307-99-3 7,7-Dichlorobicyclo(3.2.0)hept-2-enone 98 226-165-0 Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. 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: No information found. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Avoid breathing vapor or mist. Storage: Store in a tightly closed container. Store in a dry area. Keep refrigerated. (Store below 4C/39F.) 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# 5307-99-3: Personal Protective Equipment Eyes: Wear chemical splash goggles. 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: Liquid Color: clear brown Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 127 - 129 deg C @ 25 mmHg Freezing/Melting Point: Not available. 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: C7H6Cl2O Molecular Weight: 177.03 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: High temperatures. Incompatibilities with Other Materials: Strong bases, strong oxidizing agents, strong reducing agents. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 5307-99-3 unlisted. LD50/LC50: Not available. Carcinogenicity: 7,7-Dichlorobicyclo(3.2.0)hept-2-enone - 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 Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: 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# 5307-99-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 5307-99-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 5307-99-3 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境.

安全

• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36/37/39
• 海关编码: 2914700090

合成路线

79-36-7 542-92-7 ~88% 5307-99-3

文献：Baya, Mounir; Soulounganga, Patrice; Gelhaye, Eric; Grardin, Philippe Pest Management Science, 2001 , vol. 57, # 9 p. 833 - 838

542-92-7 76-02-8 ~62% 5307-99-3

文献：Ussing, Bryson R.; Hang, Chao; Singleton, Daniel A. Journal of the American Chemical Society, 2006 , vol. 128, # 23 p. 7594 - 7607

20618-08-0 542-92-7 ~86% 5307-99-3

文献：Depres; Greene; Crabbe Tetrahedron, 1981 , vol. 37, # 3 p. 621 - 628

78133-61-6 ~36% 5307-99-3

文献：Fleming, Ian; Williams, Richard Vaughan Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1981 , p. 684 - 688

4342-33-0 542-92-7 ~30% 5307-99-3 1461-22-9 详细

文献：Tetrahedron Letters, , p. 3489 - 3490 J, Organometal. Chem., , vol. 42, p. 117 - 121

25436-07-1 542-92-7 ~% 5307-99-3

文献：Journal of Organometallic Chemistry, , vol. 42, p. 117 - 121

上下游产品

上游产品  7
79-36-7 542-92-7 76-02-8 20618-08-0
78133-61-6 4342-33-0 25436-07-1
下游产品  5
533-75-5 1521-45-5 2422-86-8 34638-25-0
13173-09-6

海关

海关编码	2914700090
中文概述	2914700090 其他酮及醌的卤化、磺化衍生物（包括硝化和亚硝化衍生物）. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途, 丙酮报明包装
Summary	HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%