68716-48-3 (3-硝基苯硼酸频哪醇酯,4,4,5,5-tetramethyl-2-(3-nitrophenyl)-1,3,2-dioxaborolane)

快速询单

结构式：

3-硝基苯硼酸频哪醇酯MOL文件

CAS号：

68716-48-3

中文名称：

3-硝基苯硼酸频哪醇酯

英文名称：

4,4,5,5-tetramethyl-2-(3-nitrophenyl)-1,3,2-dioxaborolane

安全信息：

分子式：

C₁₂H₁₆BNO₄

分子量：

249.070743560791

3-硝基苯硼酸频哪醇酯(68716-48-3)名称与标识符

名称

中文别名：

3-硝基苯硼酸频哪醇酯;3-(4,4,5,5-四甲基-1,3,2-二氧硼烷)硝基苯;3-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)硝基苯;3-硝基苯硼酸频哪酯;3-硝基苯硼酸酸频哪醇酯;3-(4,4,5,5-四甲基-1,3,2-二氧杂戊硼烷-2-基)硝基苯;4,4,5,5-四甲基-2-(3-硝基苯基)-1,3,2-二氧杂戊硼烷;

英文别名：

3-Nitrophenylboronic acid pinacol ester;3-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-YL)Nitrobenzene;3-Nitrophenylboronic;4,4,5,5-tetramethyl-2-(3-nitrophenyl)-1,3,2-dioxaborolane;DTXSID00460569;(3-NITROPHENYL)BORONIC ACID PINACOL ESTER;3-nitrophenylboronic acid, pinacol ester;CS-W010221;SCHEMBL103381;MFCD05663879;AS-2751;4,4,5,5-tetramethyl-2-(3-nitrophenyl)-1,3,2-dioxaborolane;3-Nitrophenylboronic Acid Pinacol Ester;1,3,2-DIOXABOROLANE, 4,4,5,5-TETRAMETHYL-2-(3-NITROPHENYL)-;FT-0641203;3-Nitrophenylboronic acid pinacol ester, 97%;EN300-1706258;AB22006;JWEAFTZTLIGAQU-UHFFFAOYSA-N;3-nitrophenyl boronic acid pinacol ester;SY059195;AKOS015951145;3-NITROBENZENEBORONIC ACID PINACOL ESTER;tetra-methylethylene 3-nitrobenzeneboronate;A836224;AM87141;3 - Nitrobenzene boric acid pinacol ester;68716-48-3;DB-016021;

标识符

MDL：

MFCD05663879

InChIKey：

JWEAFTZTLIGAQU-UHFFFAOYSA-N

Inchi：

1S/C12H16BNO4/c1-11(2)12(3,4)18-13(17-11)9-6-5-7-10(8-9)14(15)16/h5-8H,1-4H3

SMILES：

O1B(C2C=CC=C(C=2)[N+](=O)[O-])OC(C)(C)C1(C)C

3-硝基苯硼酸频哪醇酯(68716-48-3)物化性质

实验特性

LogP : 2.41720
PSA : 64.28000
折射率 : 1.515
沸点 : 351.7℃/760mmHg
熔点 : 76-80 °C (lit.)
蒸气压 : 0.0±0.7 mmHg at 25°C
闪点 : 166.5±23.2 °C
颜色与性状 : 白色或者浅黄色结晶或者结晶性粉末。
溶解性 : 不溶于水。
密度 : 1.1±0.1 g/cm3

计算特性

精确分子量 : 249.11700
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 2
同位素质量 : 249.117
重原子数量 : 18
复杂度 : 324
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
疏水参数计算参考值（XlogP） : 无
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 64.3A^2

3-硝基苯硼酸频哪醇酯(68716-48-3)安全信息

符号： GHS07
WGK Germany： 2
安全术语： S26;S36/37
安全说明： S26-S36/37
风险术语： R36/37/38
危险品标志： Xi
危险品运输编号： NONH for all modes of transport
危害声明：H315-H319-H335
警示性声明：P261-P305+P351+P338
储存条件： 2-8°C
危险类别码： 36/37/38
信号词： Warning

3-硝基苯硼酸频哪醇酯(68716-48-3)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%

3-硝基苯硼酸频哪醇酯(68716-48-3)推荐厂家更多厂家(38)

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湖北永阔科技有限公司	18064098002 027-59223108	孙瑶	1248580055	询单
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湖北摆渡化学有限公司	18871490324 027-59106051	彭星	1400878899	询单

3-硝基苯硼酸频哪醇酯(68716-48-3)上下游

3-硝基苯硼酸硼酸频那醇酯 Methanesulfonic acid, trifluoro-, 3-nitrophenyl ester 间硝基苯酚 3-溴硝基苯联硼酸频那醇酯频哪醇硝基苯间硝基苯胺

3-硝基苯硼酸频哪醇酯(68716-48-3) MSDS

基础信息

Material Safety Data Sheet

Section 1. Identi?cation of the substance
Product Name: 3-Nitrophenylboronic acid, pinacol ester
Synonyms:

Section 2. Hazards identi?cation
    Harmful by inhalation, in contact with skin, and if swallowed.
    H315:        Causes skin irritation
    H319:        Causes serious eye irritation
    H335:        May cause respiratory irritation
    P261:        Avoid breathing dust/fume/gas/mist/vapours/spray
    P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
    and easy to do – continue rinsing

Section 3. Composition/information on ingredients.
Ingredient name: 3-Nitrophenylboronic acid, pinacol ester
CAS number: 68716-48-3

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.
    Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
    Eye contact:
    ?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.

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
    No data
    Boiling point:
    Melting point:        No data
    Flash point:        No data
    Density:        No data
    Molecular formula: C12H16BNO4
    Molecular weight: 249.1

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.

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