166330-03-6

• 常用中文名：(溴甲基)硼酸频哪醇酯
• 常用英文名：2-(bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• CAS号：166330-03-6
• 分子式：C₇H₁₄BBrO₂
• 分子量：220.900
• 发布时间：2018-07-04 14:32:41
• 更新时间：2024-01-02 10:35:51

名称

• 中文名: 溴甲基苯甲酸频那酯
• 英文名: (Bromomethyl)boronic Acid Pinacol Ester
• 中文别名: 溴甲基硼酸频哪醇酯; 2-(溴甲基)-4,4,5,5-四甲基-1,3,2-二氧杂戊硼烷; (溴甲基)硼酸频哪醇酯
• 英文别名: Bromomethylboronic acid,pinacol ester; Bromomethylboronic acid pinacol ester; 2-(Bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 1,3,2-Dioxaborolane, 2-(bromomethyl)-4,4,5,5-tetramethyl-

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 180.3±23.0 °C at 760 mmHg
• 分子式: C₇H₁₄BBrO₂
• 分子量: 220.900
• 闪点: 62.8±22.6 °C
• 精确质量: 220.027023
• PSA: 18.46000
• LogP: 2.43100
• 外观性状: 液体;Colorless to Light orange to Yellow clear liquid
• 蒸汽压: 1.2±0.3 mmHg at 25°C
• 折射率: 1.451
• 储存条件: 0-10°C;存放于惰性气体之中;避免湿气 (分解),加热
• 分子结构:

  1、 摩尔折射率：47.10

  2、 摩尔体积（cm³/mol）：174.8

  3、 等张比容（90.2K）：400.9

  4、 表面张力（dyne/cm）：27.6

  5、 极化率（10-24cm3）：18.67

• 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:1

  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:143

  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.沸点（°C）：68

  2.密度：1.26

MSDS

2-(Bromomethyl)-4,4,5,5-tetramethyl-1,3,2- Revision number: 1 dioxaborolane SAFETY DATA SHEET Section1. BASE INFORMATION Product name:2-(Bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Revision number:1 Section2. HAZARDS IDENTIFICATION Classification of the GHS PHYSICAL HAZARDS Flammable liquidsCategory 4 HEALTH HAZARDS Skin corrosion/irritationCategory 2 Category 2A Serious eye damage/eye irritation ENVIRONMENTAL HAZARDSNot classified GHS label elements Pictograms or hazard symbols Warning Signal word Hazard statementCombustible liquid Causes skin irritation Causes serious eye irritation Precautionary statements [Prevention]Keep away from flames and hot surfaces. Wash hands thoroughly after handling. Wear protective gloves and eye/face protection. [Response]IF IN EYES: 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. IF ON SKIN: Gently wash with plenty of soap and water. 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 Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance Substance/mixture: Component(s):2-(Bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane >90.0%(GC)(T) Percent: CAS Number:166330-03-6 Synonyms:(Bromomethyl)boronic Acid Pinacol Ester 2-(Bromomethyl)-4,4,5,5-tetramethyl-1,3,2- dioxaborolane Section3. COMPOSITION/INFORMATION ON INGREDIENTS Chemical Formula:C7H14BBrO2 Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. 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 Dry chemical, foam, water spray, carbon dioxide. Suitable extinguishing media: Extinguishing media not to Solid streams of water be used: Specific hazards:Take care as it may decompose upon combustion or in high temperatures to generate poisonous fume. Specific methods: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: Remove movable containers if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Personal precautions,Use personal protective equipment. Keep people away from and upwind of spill/leak. 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 a suitable absorbent (e.g. rag, dry sand, earth, saw-dust). containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected up: 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 Handling Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. Prevent generation of vapor or mist. Keep away from flames and hot surfaces. 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, ventilation. Advice on safe handling:Avoid contact with skin, eyes and clothing. Storage Storage conditions:Keep container tightly closed. Store in a refrigerator. Store under inert gas. Protect from moisture. Store away from incompatible materials such as oxidizing agents. Packaging material:Law is followed. 2-(Bromomethyl)-4,4,5,5-tetramethyl-1,3,2- dioxaborolane Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust as possible so that workers should not be exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Vapor respirator. Follow local and national regulations. Hand protection:Protective gloves. Safety glasses. A face-shield, if the situation requires. Eye protection: Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Liquid clear Form: Color:Colorless - Yellow No data available Odor: pH: No data available Melting point/freezing point:No data available Boiling Point/Range:68 °C/0.8kPa Flash Point:No data available Explosive limits No data available Lower: Upper:No data available 1.26 Density: Solubility:No data available Section10. STABILITY AND REACTIVITY Stability:Stable under proper conditions. Reactivity:No special reactivity has been reported. Conditions to avoid:Heat-sensitive, Moisture-sensitive Incompartible materials: oxidizing agents Hazardous Decomposition Carbon monoxide, Carbon dioxide, Boron oxides , Hydrogen bromide Products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available No data available NTP = Reproductive toxicity:No data available Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available Crustacea:No data available Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobillity in soil log Pow:No data available Soil adsorption (Koc):No data available Henry's LawNo data available constant(PaM3/mol): 2-(Bromomethyl)-4,4,5,5-tetramethyl-1,3,2- dioxaborolane 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 Hazards Class:Does not correspond to the classification standard of the United Nations Not Listed UN-No: Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 海关编码: 2934999090

合成路线

76-09-5 74-95-3 ~80% 166330-03-6

文献：Pulis, Alexander P.; Aggarwal, Varinder K. Journal of the American Chemical Society, 2012 , vol. 134, # 27 p. 11298 - 11298

76-09-5 ~66% 166330-03-6

文献：Eisai RandD Management Co., Ltd. Patent: US2008/15351 A1, 2008 ; Location in patent: Page/Page column 11 ;

76-09-5 5419-55-6 74-95-3 ~70% 166330-03-6

文献：Eisai RandD Management Co., Ltd. Patent: EP2062901 A1, 2009 ; Location in patent: Page/Page column 12-13 ;

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%