137297-49-5

• 常用中文名：(溴甲基)硼酸二异丙基酯
• 常用英文名：Diisopropyl (bromomethyl)boronate
• CAS号：137297-49-5
• 分子式：C₇H₁₆BBrO₂
• 分子量：222.916
• 发布时间：2018-07-07 18:45:30
• 更新时间：2024-01-13 16:17:33

名称

• 中文名: 溴甲基硼酸二异丙基酯
• 英文名: (Bromomethyl)boronic Acid Diisopropyl Ester
• 中文别名: (溴甲基)硼酸二异丙基酯; (溴代甲基)硼酸二异丙酯
• 英文别名: Boronic acid, B-(bromomethyl)-, bis(1-methylethyl) ester; bromomethyl-di(propan-2-yloxy)borane; Diisopropyl (bromomethyl)boronate; DIISOPROPYL(BROMOMETHYL)BORONATE

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 138.7±23.0 °C at 760 mmHg
• 分子式: C₇H₁₆BBrO₂
• 分子量: 222.916
• 闪点: 37.7±22.6 °C
• 精确质量: 222.042664
• PSA: 18.46000
• LogP: 3.45
• 外观性状: 液体;Colorless to Light yellow to Light orange clear liquid
• 蒸汽压: 8.3±0.2 mmHg at 25°C
• 折射率: 1.423
• 储存条件:

  密封、冷藏保存

• 分子结构:

  1、 摩尔折射率：49.04

  2、 摩尔体积（cm³/mol）：192.6

  3、 等张比容（90.2K）：532.9

  4、 表面张力（dyne/cm）：25.6

  5、 极化率（10-24cm3）：19.44

• 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:2

  4.可旋转化学键数量:5

  5.互变异构体数量:无

  6.拓扑分子极性表面积18.5

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:88.4

  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：未确定

  2. 密度（g/mL,20℃）：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）：未确定

  6. 沸点（ºC,KPa）：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（Pa,20ºC）：未确定

  12. 饱和蒸气压（KPa,20ºC）：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

Diisopropyl (Bromomethyl)boronate Revision number: 5 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:Diisopropyl (Bromomethyl)boronate Revision number:5 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDS Category 3 Flammable liquids HEALTH HAZARDS Category 2 Skin corrosion/irritation Serious eye damage/eye irritationCategory 2A Not classified ENVIRONMENTAL HAZARDS GHS label elements, including precautionary statements Pictograms or hazard symbols Signal wordWarning Hazard statementsFlammable liquid and vapour Causes skin irritation Causes serious eye irritation Precautionary statements: Keep away from heat/sparks/open flames/hot surfaces. - No smoking. [Prevention] Keep container tightly closed. Use explosion-proof electrical/ventilating/lighting equipment. Take precautionary measures against ignition by the static discharge and the spark. Wash hands thoroughly after handling. Wear protective gloves/eye protection/face protection. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, [Response] if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower. If skin irritation occurs: Get medical advice/attention. Take off contaminated clothing and wash before reuse. [Storage]Store in a well-ventilated place. Keep cool. [Disposal]Dispose of contents/container through a waste management company authorized by the local government. Diisopropyl (Bromomethyl)boronate Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:Diisopropyl (Bromomethyl)boronate Percent:>95.0%(GC) CAS Number:137297-49-5 Synonyms:(Bromomethyl)boronic Acid Diisopropyl Ester Chemical Formula:C7H16BBrO2 Section4. FIRST AID MEASURES Remove victim to fresh air and keep at rest in a position comfortable for breathing. Inhalation: Get medical advice/attention if you feel unwell. Skin contact:Remove/Take off immediately all contaminated clothing. Gently wash with plenty of soap and water. If skin irritation or rash occurs: Get medical advice/attention. Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Ingestion:Get medical advice/attention if you feel unwell. Rinse mouth. Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air- tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, water spray, carbon dioxide. media: Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to from the chemical:generate poisonous fume. Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Keep containers cool by spraying with water. Eliminate all ignition sources if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Use personal protective equipment. Keep people away from and upwind of spill/leak. Personal precautions, protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled emergency procedures: around the leakage area by roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Absorb spilled material in dry sand or inert absorbent before recovering it into an containment and cleaning airtight container. In case of large amount of spillage, contain a spill by bunding. up: Adhered or collected material should be promptly disposed of, in accordance with appropriate laws and regulations. Prevention of secondary Remove all sources of ignition. Fire-extinguishing devices should be prepared in hazards:case of a fire. Use spark-proof tools and explosion-proof equipment. Section7. HANDLING AND STORAGE Precautions for safe handling Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. Prevent generation of vapour or mist. Keep away from heat/sparks/open flame/hot surfaces. -No smoking. Take measures to prevent the build up of electrostatic charge. Use explosion-proof equipment. Wash hands and face thoroughly after handling. Use a closed system if possible. Use a ventilation, local exhaust if vapour or aerosol will be generated. Advice on safe handling: Avoid contact with skin, eyes and clothing. Conditions for safe storage, including any incompatibilities Keep container tightly closed. Store in an explosion-poof refregerator. Storage conditions: Diisopropyl (Bromomethyl)boronate Section7. HANDLING AND STORAGE Store under inert gas. Protect from moisture. Store away from incompatible materials such as oxidizing agents. Heat-sensitive, Moisture-sensitive Packaging material:Comply with laws. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Vapor respirator. Follow local and national regulations. Hand protection:Protective gloves. Eye protection:Safety glasses. A face-shield, if the situation requires. Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Liquid Form:Clear Colour:Colorless - Pale yellow Odour:No data available pH: No data available Melting point/freezing point:No data available Boiling point/range:No data available Flash point:No data available Flammability or explosive limits: No data available Lower: Upper:No data available No data available Relative density: Solubility(ies): [Water]No data available [Other solvents]No data available Section10. STABILITY AND REACTIVITY Stable under proper conditions. Chemical stability: Possibility of hazardous No special reactivity has been reported. reactions: Conditions to avoid:Spark, Open flame, Static discharge Incompatible materials: Oxidizing agents Hazardous decomposition Carbon monoxide, Carbon dioxide, Boron oxides , Hydrogen bromide products: Section11. TOXICOLOGICAL INFORMATION No data available Acute Toxicity: Skin corrosion/irritation: No data available No data available Serious eye damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available NTP =No data available Reproductive toxicity:No data available Section12. ECOLOGICAL INFORMATION Ecotoxicity: No data available Fish: Crustacea:No data available Diisopropyl (Bromomethyl)boronate Section12. ECOLOGICAL INFORMATION Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobility in soil No data available Log Pow: Soil adsorption (Koc):No data available No data available Henry's Law constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION 3: Flammable liquid. Hazards Class: UN-No:3272 Esters, n.o.s. Proper shipping name: Packing group:III Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002 and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi

合成路线

5419-55-6 74-95-3 ~94% 137297-49-5

文献：SMITHKLINE BEECHAM CORPORATION; ANACOR PHARMACEUTICALS, INC. Patent: WO2009/46098 A1, 2009 ; Location in patent: Page/Page column 102 ;

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