1036990-42-7 (二环戊基甲酮,4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine)

快速询单

结构式：

二环戊基甲酮MOL文件

CAS号：

1036990-42-7

中文名称：

二环戊基甲酮

英文名称：

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine

分子式：

C₁₂H₁₅BF₃NO₂

分子量：

273.059213876724

二环戊基甲酮(1036990-42-7)名称与标识符

名称

中文别名：

2-三氟甲基吡啶-4-硼酸频哪醇酯;1-乙酰基哌啶-4-胺盐酸盐;2-（三氟甲基）吡啶-4-硼酸频哪醇酯;4-(4,4,5,5-四甲基-1,3,2-二氧硼烷)-2-三氟甲基吡啶;二环戊基甲酮;

英文别名：

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine;2-(Trifluoromethyl)pyridine-4-boronic acid pinacol ester;4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-2-trifluoromethyl-pyridine;Pyridine, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)-;2-(trifluoroMethyl)-4-(4;2-Trifluoromethyl-4-pyridineboronic acid pinacol ester;2-(trifluoromethyl)pyridin-4-ylboronic acid pinacol ester;3-hydroxy-2,3-dimethylbutan-2-yl hydrogen (2-(trifluoromethyl)pyridin-4-yl)boronate;4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine, 4,4,5,5-Tetramethyl-2-[2-(trifluoromethyl)pyridin-4-yl]-1,3,2-dioxaborolane;4-(tetraMethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoroMethyl)pyridine;2-Trifluoromethylpyridine-4-boronic acid pinacol ester;2-(TRIFLUOROMETHYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE;CUQOVOZIDNPNHO-UHFFFAOYSA-N;A800787;AB50743;MFCD09607678;SCHEMBL406138;Z1917236194;(2-(TRIFLUOROMETHYL)PYRIDIN-4-YL)BORONIC ACID PINACOL ESTER;AKOS015943050;DS-14109;DTXSID60671295;4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-2- trifluoromethyl-pyridine;2-(trifluoromethyl)pyridine-4-boronic acid pinacol ester, AldrichCPR;J-513421;2-(Trifluoromethyl)pyridine-4-boronic acid, pinacol ester;CS-W000625;EN300-761570;A26969;SY067984;1036990-42-7;STL555545;BBL101748;

标识符

MDL：

MFCD09607678

InChIKey：

CUQOVOZIDNPNHO-UHFFFAOYSA-N

Inchi：

1S/C12H15BF3NO2/c1-10(2)11(3,4)19-13(18-10)8-5-6-17-9(7-8)12(14,15)16/h5-7H,1-4H3

SMILES：

FC(C1C=C(B2OC(C)(C)C(C)(C)O2)C=CN=1)(F)F

二环戊基甲酮(1036990-42-7)物化性质

实验特性

LogP : 2.39960
PSA : 31.35000
沸点 : 349.3℃ at 760 mmHg
密度 : 1.18

计算特性

精确分子量 : 273.11500
氢键供体数量 : 0
氢键受体数量 : 6
可旋转化学键数量 : 1
同位素质量 : 273.1147934g/mol
重原子数量 : 19
复杂度 : 330
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
拓扑分子极性表面积 : 31.4

二环戊基甲酮(1036990-42-7)安全信息

二环戊基甲酮(1036990-42-7)海关数据

海关编码：

2934999090

海关数据：

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

Summary：

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

二环戊基甲酮(1036990-42-7)推荐厂家更多厂家(26)

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上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
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南通众合化工新材料有限公司	18762756250 0513-55074056	胡经理	2369399482	询单
南通众合化工新材料有限公司	18762756250 0513-55074056	胡经理	2369399482	询单
上海腾准生物科技有限公司	19821570922 021-34053661	张经理	3003871136	询单
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单

二环戊基甲酮(1036990-42-7) MSDS

基础信息

Material Safety Data Sheet

Section 1. Identi?cation of the substance
Product Name: 2-(Tri?uoromethyl)pyridine-4-boronic acid pinacol ester
Synonyms:

Section 2. Hazards identi?cation
Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
Ingredient name: 2-(Tri?uoromethyl)pyridine-4-boronic acid pinacol ester
CAS number: 1036990-42-7

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing
    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
    ?ushing of the eyes by separating the eyelids with ?ngers. 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 ?ghting measures
    In the event of a ?re 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 quali?ed
    in the handling and use of potentially hazardous chemicals, who should take into account the ?re,
    health and chemical hazard data given on this sheet.
    Storage:        Store in closed vessels, under ?20?C.

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
    Appearance:        Not speci?ed
    Boiling point:        No data
    Melting point:        No data
    Flash point:        No data
    Density:        No data
    Molecular formula: C12H15BF3NO2
    Molecular weight: 273.1

Section 10. Stability and reactivity
    Conditions to avoid: Heat, ?ames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen ?uoride.

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