| 中文名 | 1-氯-2,3,3-三氟环丁烯 |
|---|---|
| 英文名 | 1-Chloro-2,3,3-trifluorocyclobutene |
| 英文别名 |
MFCD00041524
1-chloro-2,3,3-trifluorocyclobutene |
| 密度 | 1.355 g/mL at 25 °C(lit.) |
|---|---|
| 沸点 | 51-52 °C(lit.) |
| 分子式 | C4H2ClF3 |
| 分子量 | 142.50700 |
| 闪点 | 5 °F |
| 精确质量 | 141.98000 |
| LogP | 2.44530 |
| 折射率 | n20/D 1.365(lit.) |
| 储存条件 | 存放在密封容器内，并放在阴凉，干燥处。储存的地方必须远离氧化剂。 |
| 稳定性 | 远离氧化物，火源。 |
| 分子结构 | 1、 摩尔折射率：23.16 2、 摩尔体积（m3/mol）：96.8 3、 等张比容（90.2K）：203.3 4、 表面张力（dyne/cm）：19.4 5、 介电常数： 6、 偶极距（10 -24cm 3）： 7、 极化率：9.18 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:1.7 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:无 6.拓扑分子极性表面积0 7.重原子数量:8 8.表面电荷:0 9.复杂度:149 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:0 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：无色液体。 2. 密度（g/mL,25/4℃）：1.355 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：51-52 5. 沸点（ºC,常压）：未确定 6. 沸点（ºC,5.2kPa）：未确定 7. 折射率：1.365 8. 闪点（ºC）：-15 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：与水混溶。 |
Synonym:None Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 11 20/21/22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Highly flammable. Harmful by inhalation, in contact with skin and if swallowed.Air sensitive.Highly flammable.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. 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. The toxicological properties of this substance have not been fully investigated. Vapors may cause dizziness or suffocation. 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. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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: 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. Vapors may form an explosive mixture with air. Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Water may be ineffective. Material is lighter than water and a fire may be spread by the use of water. Flammable liquid and vapor. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Will be easily ignited by heat, sparks or flame. Containers may explode if exposed to fire. Extinguishing Media: For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. Water may be ineffective. Water may spread fire. If water is the only media available, use in flooding amounts. For large fires, use water spray, fog or alcohol-resistant foam. Do NOT use straight streams of water. Cool containers with flooding quantities of water until well after fire is out. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Scoop up with a nonsparking tool, then place into a suitable container for disposal. Remove all sources of ignition. Provide ventilation. Place under an inert atmosphere. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Ground and bond containers when transferring material. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Handle under an inert atmosphere. Store protected from air. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Storage: Keep away from heat and flame. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area. Keep refrigerated. (Store below 4C/39F.) Do not expose to air. 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# 694-62-2: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: colorless Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 51 - 52 deg C Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: -14 deg C ( 6.80 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: 1.3550g/cm3 Molecular Formula: C4H2ClF3 Molecular Weight: 142.51 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at normal temperatures in tightly closed containers under an inert atmosphere. Conditions to Avoid: Incompatible materials, ignition sources, exposure to air, excess heat. Incompatibilities with Other Materials: Strong acids, strong bases, strong oxidizing agents, strong reducing agents. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 694-62-2 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-Chloro-2,3,3-Trifluorocyclobutene - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Other No information available. Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Shipping Name: FLAMMABLE LIQUID, N.O.S.* Hazard Class: 3 UN Number: 1993 Packing Group: II IMO Shipping Name: FLAMMABLE LIQUID, N.O.S. Hazard Class: 3.2 UN Number: 1993 Packing Group: II RID/ADR Shipping Name: FLAMMABLE LIQUID, N.O.S. Hazard Class: 3 UN Number: 1993 Packing group: II Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN F Risk Phrases: R 11 Highly flammable. R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. Safety Phrases: S 9 Keep container in a well-ventilated place. S 16 Keep away from sources of ignition - No smoking. S 28A After contact with skin, wash immediately with plenty of water. S 33 Take precautionary measures against static discharges. S 37 Wear suitable gloves. S 37/39 Wear suitable gloves and eye/face protection. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 694-62-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 694-62-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 694-62-2 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
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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。
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| 危害码 (欧洲) | F,Xn,Xi |
|---|---|
| 风险声明 (欧洲) | 11-20/21/22-36/37 |
| 安全声明 (欧洲) | S16-S26-S36 |
| 危险品运输编码 | UN 1993 3/PG 2 |
| WGK德国 | 3 |
| 包装等级 | II |
| 危险类别 | 3 |
|
~67%
694-62-2 |
| 文献：Akhtar; Botting; Cohen; Gani Tetrahedron, 1987 , vol. 43, # 24 p. 5899 - 5908 |
|
~%
694-62-2 |
| 文献：Journal of Organic Chemistry, , vol. 40, p. 2791 - 2795 |
