4-(三氟甲基)苯硼酸频哪醇酯

4-(三氟甲基)苯硼酸频哪醇酯 基本信息
CAS号 214360-65-3 分子式 C13H16BF3O2
分子量 272.07100 精确质量 　272.12000
PSA 　18.46000 LogP 　3.00460
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目录
基本信息 物化性质 安全信息 合成路线 MSDS 海关数据 上下游

基本信息 展开↓

CAS号：
214360-65-3
3D弹球模型：
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分子式：
C13H16BF3O2
分子量：
272.07100
中文名称：
4-(三氟甲基)苯硼酸频哪醇酯
英文名称：
4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
中文别名：
4-(三氟甲基)苯硼酸频哪醇酯;
4,4,5,5-四甲基-2-(4-(三氟甲基)苯基)-1,3,2-二噁硼烷
英文别名：
4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane;
4-Trifluoromethylphenylboronic acid,pinacol ester;
4-trifluoromethylphenylboronic acid,pinacol ester
精确分子量/精确质量：
272.12000
极性分子表面积/PSA：
18.46000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：
InChI=1/C14H16BF3O3/c1-13(2)14(3,4)21-15(20-13)9-5-7-10(8-6-9)19-12(18)11(16)17/h5-8H,1-4H3

物化性质展开↓

密度：
1.14g/cm3
沸点：
291.4ºC at 760mmHg
闪点：
130ºC
折射率：
1.469
蒸汽压：
0.00159mmHg at 25°C

安全信息展开↓

海关代码：
2934999090

合成路线查看所有的合成路线

  • 61676-62-8

    异丙醇频哪醇硼酸酯

  • +

  • 402-43-7

    对溴三氟甲苯

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    ~97%

  • 214360-65-3

    4-(三氟甲基)苯硼酸频哪醇酯

  • 455-13-0

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    联硼酸频那醇酯

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    ~94%

  • 214360-65-3

    4-(三氟甲基)苯硼酸频哪醇酯

  • 402-43-7

    对溴三氟甲苯

  • +

  • 73183-34-3

    联硼酸频那醇酯

  • →

    ~92%

  • 214360-65-3

    4-(三氟甲基)苯硼酸频哪醇酯

MSDS 展开↓

  Material Safety Data Sheet
Section 1. Identification of the substance
    Product Name:      4-Trifluoromethylphenylboronic acid, pinacol ester    
    Synonyms:
Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.
    H302:        Harmful if swallowed    
    H413:        May cause long lasting harmful effects to aquatic life    
Section 3. Composition/information on ingredients.
    Ingredient name:        4-Trifluoromethylphenylboronic acid, pinacol ester    
    CAS number:        214360-65-3    
Section 4. First aid measures
    Immediately wash skin with copious amounts of water for at least 15 minutes while removing
    Skin contact:
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate    
    flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    
Section 5. Fire fighting measures
    In the event of a fire involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.
Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator    
    Hand precaution:        Wear suitable gloves/gauntlets    
    Skin protection:        Wear suitable protective clothing    
    Eye protection:        Wear suitable eye protection    
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.
Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly qualified    
    in the handling and use of potentially hazardous chemicals, who should take into account the fire,
    health and chemical hazard data given on this sheet.
    Storage:        Store in closed vessels.    
Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.
Section 9. Physical and chemical properties
    Not specified
    Appearance:
    Boiling point:        No data    
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C13H16BF3O2    
    Molecular weight:        272.1    
Section 10. Stability and reactivity
    Conditions to avoid: Heat, flames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, hydrogen fluoride.
Section 11. Toxicological information
    No data.
Section 12. Ecological information
    No data.
Section 13. Disposal consideration
    Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
    disposal authority, in accordance with national and regional regulations.
Section 14. Transportation information
    Non-harzardous for air and ground transportation.
Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2934999090

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
摘要/Summary：
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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