851942-89-7

• 常用中文名：(11bS)-(+)-4,4-二丁基-4,5-二氢-2,6-双(3,4,5-三氟苯基)-3H-二萘[2,1-c:1′,2′-e]氮杂卓溴化物
• 常用英文名：(S)-4,4-DIBUTYL-2,6-BIS(3,4,5-TRIFLUOROPHENYL)-4,5-DIHYDRO-3H-DINAPHTHO[7,6,1,2-CDE]AZEPINIUM BROMIDE
• CAS号：851942-89-7
• 分子式：C₄₂H₃₆BrF₆N
• 分子量：748.63600
• 发布时间：2018-12-26 17:13:11
• 更新时间：2024-09-08 15:22:08

名称

• 中文名: (11bS)-(+)-4,4-二丁基-4,5-二氢-2,6-双(3,4,5-三氟苯基)-3H-二萘[2,1-c:1′,2′-e]氮杂卓溴化物
• 英文名: 4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinapht ho[2,1-c:1',2'-e]azepinium bromide
• 英文别名: MFCD09264271

物化性质

• 熔点: 224-229ºC
• 分子式: C₄₂H₃₆BrF₆N
• 分子量: 748.63600
• 精确质量: 747.19400
• LogP: 9.22200
• 储存条件:

  密封于阴凉干燥环境中

• 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:8

  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:50

  8.表面电荷:0

  9.复杂度:968

  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：固体

  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）：224-229

  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

MSDS

1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE Product name : (11bS)-(+)-4,4-Dibutyl-4,5-dihydro-2,6-bis(3,4,5- trifluorophenyl)-3H-dinaphth[2,1-c:1′,2′-e]azepinium bromide Company : (Shanghai) Trading Co.,Ltd 41F K. Wah Centrre 1010 Huai Hai Zhong Road 200031 SHANGHAI CHINA Telephone : +86 21-61415566 Fax : +86 21-61415567 Emergency Phone # : +8621-61415560 E-mail address : china@sial.com 2. HAZARDS IDENTIFICATION This substance is not classified as dangerous according to Directive 67/548/EEC. 3. COMPOSITION/INFORMATION ON INGREDIENTS Formula : C42H36BrF6N Molecular Weight : 748,64 g/mol CAS-No. EC-No. Index-No. Classification Concentration (11bS)-(+)-4,4-Dibutyl-4,5-dihydro-2,6-bis(3,4,5-trifluorophenyl)-3H-dinaphth[2,1-c:1',2'-e]azepinium bromide 851942-89-7 - - - - 4. FIRST AID MEASURES If inhaled If breathed in, move person into fresh air. If not breathing give artificial respiration In case of skin contact Wash off with soap and plenty of water. In case of eye contact Flush eyes with water as a precaution. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. - 677086 5. FIRE-FIGHTING MEASURES Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special protective equipment for fire-fighters Wear self contained breathing apparatus for fire fighting if necessary. 6. ACCIDENTAL RELEASE MEASURES Personal precautions Avoid dust formation. Environmental precautions Do not let product enter drains. Methods for cleaning up Sweep up and shovel. Keep in suitable, closed containers for disposal. 7. HANDLING AND STORAGE Handling Provide appropriate exhaust ventilation at places where dust is formed. Normal measures for preventive fire protection. Storage Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Moisture sensitive. 8. EXPOSURE CONTROLS/PERSONAL PROTECTION Personal protective equipment Respiratory protection Respiratory protection is not required. Where protection from nuisance levels of dusts are desired, use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Hand protection For prolonged or repeated contact use protective gloves. Eye protection Safety glasses Hygiene measures General industrial hygiene practice. 9. PHYSICAL AND CHEMICAL PROPERTIES Appearance Form powder Colour off-white Safety data pH no data available Melting point 224 - 229 °C Boiling point no data available Flash point no data available Ignition temperature no data available - 677086 Lower explosion limit no data available Upper explosion limit no data available Water solubility no data available 10. STABILITY AND REACTIVITY Storage stability Stable under recommended storage conditions. Materials to avoid Strong oxidizing agents Hazardous decomposition products Hazardous decomposition products formed under fire conditions. - Carbon oxides, nitrogen oxides (NOx), Hydrogen bromide gas, Hydrogen fluoride 11. TOXICOLOGICAL INFORMATION Acute toxicity no data available Irritation and corrosion no data available Sensitisation no data available Chronic exposure IARC: No component of this product present at levels greater than or equal to 0.1% is identified as probable, possible or confirmed human carcinogen by IARC. Potential Health Effects Inhalation May be harmful if inhaled. May cause respiratory tract irritation. Skin May be harmful if absorbed through skin. May cause skin irritation. Eyes May cause eye irritation. Ingestion May be harmful if swallowed. 12. ECOLOGICAL INFORMATION Elimination information (persistence and degradability) no data available Ecotoxicity effects no data available Further information on ecology no data available 13. DISPOSAL CONSIDERATIONS Product Observe all federal, state, and local environmental regulations. Contaminated packaging Dispose of as unused product. - 677086 14. TRANSPORT INFORMATION ADR/RID Not dangerous goods IMDG Not dangerous goods IATA Not dangerous goods 15. REGULATORY INFORMATION Labelling according to EC Directives Further information: The product does not need to be labelled in accordance with EC directives or respective national laws. Caution - substance not yet tested completely. 16. OTHER INFORMATION Further information Copyright 2010 Co. License granted to make unlimited paper copies for internal use only. The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. Co., shall not be held liable for any damage resulting from handling or from contact with the above product. See reverse side of invoice or packing slip for additional terms and conditions of sale. - 677086 SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

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。