69399-79-7

• 常用中文名：3-(2-氯-6-氟苯基)-5-甲基异唑-4-羰基氯
• 常用英文名：3-(2-CHLORO-6-FLUOROPHENYL)-5-METHYLISOXAZOLE-4-CARBONYL CHLORIDE
• CAS号：69399-79-7
• 分子式：C₁₁H₆Cl₂FNO₂
• 分子量：274.07500
• 发布时间：2018-12-30 20:04:24
• 更新时间：2024-01-10 19:31:42

名称

• 中文名: 3-(2-氯-6-氟苯基)-5-甲基异唑-4-羰基氯
• 英文名: 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride
• 中文别名: 3-(2-氯-6-氟苯基)-5-甲基异噁唑-4-羧酰氯
• 英文别名: 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride; MFCD00055650; EINECS 273-987-0

物化性质

• 密度: 1.445 g/cm3
• 沸点: 368.3ºC at 760 mmHg
• 熔点: 48 °C
• 分子式: C₁₁H₆Cl₂FNO₂
• 分子量: 274.07500
• 闪点: 176.5ºC
• 精确质量: 272.97600
• PSA: 43.10000
• LogP: 3.82150
• 外观性状: 白色至奶油色的晶体固体
• 储存条件:

  存放在充有干爽惰性气体的容器内，并放在阴凉，干爽处。储存的地方必须上锁，钥匙必须交给技术专家和他们的助手保管。储存的地方必须远离氧化剂，远离水源存放，切勿与与碱存放在一起。

• 稳定性:

  远离氧化物，碱，水分/潮湿。

• 分子结构:

  1、 摩尔折射率：61.19

  2、 摩尔体积（m³/mol）：189.5

  3、 等张比容（90.2K）：493.2

  4、 表面张力（dyne/cm）：45.8

  5、 极化率（10 ^-24cm ³）：24.25

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.7

  2.氢键供体数量:0

  3.氢键受体数量:4

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积43.1

  7.重原子数量:17

  8.表面电荷:0

  9.复杂度:305

  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：白色粉末。

  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）：50-52

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  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：与水反应。

MSDS

Name: 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride, Material Safety Data Sheet Synonym: CAS: 69399-79-7 Section 1 - Chemical Product MSDS Name: 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride, Material Safety Data Sheet Synonym: SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 69399-79-7 3-(2-Chloro-6-fluorophenyl)-5-methylis 97% 273-987-0 +++++ Hazard Symbols: C SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns.Moisture sensitive. Potential Health Effects Eye: Causes eye burns. Skin: Causes skin burns. Ingestion: Causes gastrointestinal tract burns. Inhalation: Causes chemical burns to the respiratory tract. Chronic: Not available. SECTION 4 - FIRST AID MEASURES Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Skin: Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Do not induce vomiting. Get medical aid immediately. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. 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: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood. Storage: Store in a cool, dry place. Store in a tightly closed container. Corrosives area. Store under nitrogen. 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# 69399-79-7: 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: Powder Color: white - light cream Odor: characteristic odor pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 48 - 52 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: C11H6Cl2FNO2 Molecular Weight: 273.9519 SECTION 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials, exposure to moist air or water. Incompatibilities with Other Materials: Bases, strong oxidizing agents, alcohols. Hazardous Decomposition Products: Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas, fluorine. Hazardous Polymerization: Has not been reported SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 69399-79-7 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride - 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, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3261 Packing Group: III IMO Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3261 Packing Group: III RID/ADR Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3261 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 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, 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# 69399-79-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 69399-79-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 69399-79-7 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION MSDS Creation Date: 3/21/2003 Revision #0 Date: Original. 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

毒性和生态

生态学数据: 对水稍微有危害的，不要让未稀释或者大量产品接触地下水，水道或者污水系统。若无政府许可，勿将材料排入周围环境。

安全

• 危害码 (欧洲): C:Corrosive;
• 风险声明 (欧洲): R34
• 安全声明 (欧洲): S26-S36/37/39-S45-S26/36/37/39/45-S20
• 危险品运输编码: 3261
• 包装等级: II
• 危险类别: 8
• 海关编码: 2934999090

海关

海关编码	2934999090
中文概述	2934999090. 其他杂环化合物. 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
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%