1007206-54-3 (6-(4,4,5,5-四甲基-1,3,2-二氧硼烷)-1H-苯并咪唑,1H-Benzimidazole-5-boronic Acid Pinacol Ester)

快速询单

结构式：

6-(4,4,5,5-四甲基-1,3,2-二氧硼烷)-1H-苯并咪唑MOL文件

CAS号：

1007206-54-3

中文名称：

6-(4,4,5,5-四甲基-1,3,2-二氧硼烷)-1H-苯并咪唑

英文名称：

1H-Benzimidazole-5-boronic Acid Pinacol Ester

分子式：

C₁₃H₁₇BN₂O₂

分子量：

244.097283124924

6-(4,4,5,5-四甲基-1,3,2-二氧硼烷)-1H-苯并咪唑(1007206-54-3)名称与标识符

名称

中文别名：

1H-苯并咪唑-5-硼酸频哪酯;1H-苯并[d]咪唑-5-硼酸频哪醇酯;6-(4,4,5,5-四甲基-1,3,2-二氧硼烷)-1H-苯并咪唑;1H-苯并咪唑-5-硼酸频哪醇酯;苯并咪唑-5-硼酸频呐醇酯;1H-苯并咪唑-5-硼酸嚬哪醇酯;1H-苯并咪唑-5-硼酸频那醇酯;

英文别名：

1H-Benzimidazole-5-boronic acid pinacol ester;1H-Benzimidazole, 6-(4,4,5,5- tetramethyl-1,3,2-dioxaborolan-2-yl)-;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole;6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazole;5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazole;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole;5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-benzimidazole;6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzo[d]imidazole;Benzimidazole-5-boronic acid pinacol ester;1H-Benzimidazole-5-boronic acid, picol ester;1H-Benzo[d]imidazole-5-boronic Acid Pinacol Ester;(1H-BENZO[D]IMIDAZOL-5-YL)BORONIC ACID PINACOL ESTER;1H-Benzimidazole-5-boronic acid, pinacol ester;5-(;5-(4,4,5,5-TetraMethyl-1,3,2-dioxaborola;1H-BENZIMIDAZOLE, 6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-;DS-13969;T3275;EN300-212664;SCHEMBL874992;J-000202;FT-0696441;AM62663;MFCD11054041;AKOS015919209;SY026453;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole;1H-Benzo[d]imidazole-5-boronic Acid Pinacol Ester;1007206-54-3;RB2074;1H-Benzimidazole-5-boronic acid pinacol ester, 97%;A800263;AB63070;5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-1,3-benzodiazole;CS-W005390;DTXSID80674162;HCWNKNYTHLBIHX-UHFFFAOYSA-N;2-(Benzimidazol-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;

标识符

MDL：

MFCD11054041

InChIKey：

HCWNKNYTHLBIHX-UHFFFAOYSA-N

Inchi：

1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)9-5-6-10-11(7-9)16-8-15-10/h5-8H,1-4H3,(H,15,16)

SMILES：

O1B(C2=CC=C3C(=C2)NC=N3)OC(C)(C)C1(C)C

6-(4,4,5,5-四甲基-1,3,2-二氧硼烷)-1H-苯并咪唑(1007206-54-3)物化性质

实验特性

LogP : 1.86210
PSA : 47.14000
沸点 : 495.2±51.0 °C at 760 mmHg
熔点 : 202-206 °C
闪点 : 253.3±30.4 °C
密度 : 1.15

计算特性

精确分子量 : 244.13800
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 1
同位素质量 : 244.138
重原子数量 : 18
复杂度 : 319
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 : 47.1

6-(4,4,5,5-四甲基-1,3,2-二氧硼烷)-1H-苯并咪唑(1007206-54-3)安全信息

WGK Germany： 3
危险品运输编号： NONH for all modes of transport
危害声明：H302-H315-H319-H332-H335
警示性声明：P261-P280-P305+P351+P338
储存条件： Inert atmosphere,Store in freezer, under -20°C
信号词： Warning

6-(4,4,5,5-四甲基-1,3,2-二氧硼烷)-1H-苯并咪唑(1007206-54-3)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%

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6-(4,4,5,5-四甲基-1,3,2-二氧硼烷)-1H-苯并咪唑(1007206-54-3) MSDS

基础信息

Material Safety Data Sheet

Section 1. Identi?cation of the substance
Product Name: 1H-Benzimidazole-5-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: 1H-Benzimidazole-5-boronic acid, pinacol ester
CAS number: 1007206-54-3

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.
    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.
    Store in closed vessels, refrigerated.
    Storage:

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
    No data
    Melting point:
    Flash point:        No data
    Density:        No data
    Molecular formula:        C13H17BN2O2
    Molecular weight:        244.1

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