107264-06-2
107264-06-2结构式
- 常用中文名：N-氟-3,5-二氯吡啶三氟
- 常用英文名：3,5-Dichloro-1-fluoropyridinium triflate
- CAS号：107264-06-2
- 分子式：C6H3Cl2F4NO3S
- 分子量：316.057
- 相关类别： 医药中间体 杂环化合物 吡啶类化合物 氯吡啶
- 发布时间：2018-06-13 12:02:14
- 更新时间：2024-01-13 12:27:24
| 中文名 | N-氟-3,5-二氯吡啶三氟 |
|---|---|
| 英文名 | 3,5-dichloro-1-fluoropyridin-1-ium,trifluoromethanesulfonate |
| 英文别名 |
3,5-Dichloro-N-fluoropyridinium triflate
3,5-Dichloro-1-fluoropyridinium trifluoromethanesulfonate 3,5-dichloro-1-fluoro-pyridinium triflate 3,5-Dichloro-1-fluoropyridinium triflate T6KJ AF CG EG &&Triflate N-fluoro-3,5-dichloropyridinium trifluoromethanesulfonate 1-fluoro-3,5-dichloropyridinium trifluoromethanesulfonate 3,5-Dichloro-N-fluoropyridinium trifluoromethanesulfonate Pyridinium,3,5-dichloro-1-fluoro-,salt with trifluoromethanesulfonic acid (1:1) 1-Fluoro-3,5-dichloropyridinium triflate N-fluoro-3,5-dichloropyridinium triflate MFCD00067526 |
| 密度 | 1.709 (estimate) |
|---|---|
| 熔点 | 107-112ºC |
| 分子式 | C6H3Cl2F4NO3S |
| 分子量 | 316.057 |
| 精确质量 | 314.914673 |
| PSA | 69.46000 |
| LogP | 3.14570 |
| 外观性状 | solid |
| 折射率 | 1.6100 (estimate) |
| 储存条件 | 密闭于0-6 ºC阴凉干燥环境中 |
| 稳定性 | 遵照规定使用和储存则不会分解。 |
| 分子结构 | 1、摩尔折射率：无可用 2、 摩尔体积（cm3/mol）：无可用 3、 等张比容（90.2K）：无可用 4、 表面张力（dyne/cm）：无可用 5、 极化率：无可用 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:无 2.氢键供体数量:0 3.氢键受体数量:7 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69.5 7.重原子数量:17 8.表面电荷:0 9.复杂度:236 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:2 |
| 更多 | 1. 性状：无可用 2. 密度（g/mL,25/4℃）：无可用 3. 相对蒸汽密度（g/mL,空气=1）：无可用 4. 熔点（ºC）：107-112 5. 沸点（ºC,常压）：无可用 6. 沸点（ºC,5.2kPa）：无可用 7. 折射率：无可用 8. 闪点（ºC）：无可用 9. 比旋光度（º）：无可用 10. 自燃点或引燃温度（ºC）：无可用 11. 蒸气压（kPa,25ºC）：无可用 12. 饱和蒸气压（kPa,60ºC）：无可用 13. 燃烧热（KJ/mol）：无可用 14. 临界温度（ºC）：无可用 15. 临界压力（KPa）：无可用 16. 油水（辛醇/水）分配系数的对数值：无可用 17. 爆炸上限（%,V/V）：无可用 18. 爆炸下限（%,V/V）：无可用 19. 溶解性：无可用 |
Synonym: None known. SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 34 SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns.Moisture sensitive.Light sensitive.Corrosive. Potential Health Effects Eye: Causes eye burns. May cause chemical conjunctivitis and corneal damage. Skin: Causes skin burns. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color.
Ingestion: May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May cause systemic effects. Inhalation: May cause severe irritation of the respiratory tract with sore throat, coughing, shortness of breath and delayed lung edema. Causes chemical burns to the respiratory tract. The toxicological properties of this substance have not been fully investigated. Aspiration may lead to pulmonary edema. May cause systemic effects. Chronic: Effects may be delayed. SECTION 4 - FIRST AID MEASURES Eyes: Get medical aid. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes). Skin: Get medical aid. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes. Ingestion: Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid. 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. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: Use agent most appropriate to extinguish fire. Do NOT get water inside containers. Use water spray, dry chemical, carbon dioxide, or appropriate foam. 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. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation. Do not get water inside containers. SECTION 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Store protected from light. Do not allow contact with water. Discard contaminated shoes. Keep from contact with moist air and steam. Storage: Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.) Store protected from moisture. Store protected from light. 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# 107264-06-2: 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: Solid Color: slightly yellow Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 98.00 - 101.00 deg C Autoignition Temperature: Not applicable. Flash Point: 174 deg C ( 345.20 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: 174 deg C Solubility in water: reacts Specific Gravity/Density: Molecular Formula: C6H3Cl2F4NO3S Molecular Weight: 316.04 SECTION 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, light, dust generation, moisture, excess heat. Incompatibilities with Other Materials: Moisture. Hazardous Decomposition Products: Hydrogen chloride, nitrogen oxides, carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas, nitrogen. Hazardous Polymerization: Has not been reported. SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 107264-06-2 unlisted. LD50/LC50: Not available. Carcinogenicity: N-Fluoro-3,5-Dichloropyridinium Triflate - 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: CORROSIVE SOLID, N.O.S. Hazard Class: 8 UN Number: 1759 Packing Group: III IMO Shipping Name: CORROSIVE SOLID, N.O.S. Hazard Class: 8 UN Number: 1759 Packing Group: III RID/ADR Shipping Name: CORROSIVE SOLID, N.O.S. Hazard Class: 8 UN Number: 1759 Packing group: III SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: C Risk Phrases: R 34 Causes burns. Safety Phrases: S 28A After contact with skin, wash immediately with plenty of water. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. S 37 Wear suitable gloves. 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# 107264-06-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 107264-06-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 107264-06-2 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION MSDS Creation Date: 9/02/1997 Revision #7 Date: 3/18/2003 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages. SECTION 16 - ADDITIONAL INFORMATION N/A |
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生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。
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| 危害码 (欧洲) | Xi: Irritant;C: Corrosive; |
|---|---|
| 风险声明 (欧洲) | R34 |
| 安全声明 (欧洲) | S26 |
| 危险品运输编码 | UN 3261 |
| 包装等级 | III |
| 海关编码 | 2933399090 |
| 海关编码 | 2933399090 |
|---|---|
| 中文概述 | 2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0% |
| 申报要素 | 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期 |
| Summary | 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |