269410-24-4 (5-吲哚硼酸频哪醇酯,Indole-5-boronic acid, pinacol ester)

快速询单

结构式：

5-吲哚硼酸频哪醇酯MOL文件

CAS号：

269410-24-4

中文名称：

5-吲哚硼酸频哪醇酯

英文名称：

Indole-5-boronic acid, pinacol ester

安全信息：

分子式：

C₁₄H₁₈BNO₂

分子量：

243.109223842621

5-吲哚硼酸频哪醇酯(269410-24-4)名称与标识符

名称

中文别名：

5-吲哚硼酸频哪醇酯;5-(4,4,5,5-四甲基-1,3,2-二氧硼戊环-2-基)-1H-吲哚;1H-吲哚-5-硼酸频哪醇酯;5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole 5-(4,4,5,5-四甲基-1,3,2-二氧硼戊环-2-基)-1H-吲哚;5-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)-1H-吲哚;吲哚-5-硼酸频哪酯;5-吲哚硼酸频纳醇酯;5-吲哚硼酸频哪醇酯 1G;

英文别名：

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;Indole-5-boronic acid pinacol ester;5-Indoleboronic acid pinacol ester;Indolyl-5-boronic acid pinacol ester;1H-Indole-5-boronic acid pinacol ester;5-Indolylboronic acid,pinacol ester;pinacol indol-5-ylboronate;5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-indole;1H-Indole, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-;5-Indolylboronic acid, pinacol ester;(1H-INDOL-5-YL)BORONIC ACID PINACOL ESTER;5-Indoleboronicacidpinacolester;5-(4,4,5,5-Tetramethyl-1,3,2-di;5-Indolylboronic acid, pinacol cyclic ester;1H-Indole-5-boronic acid pinacol ester ,97%;Indolyl-5-boronic acid pi...;1H-indol-5-ylboronic acid pinacol ester;5-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)-1h- indole (5-Indoleboronic acid pinacol ester);5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole, 2-(1H-Indol-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;I0590;DTXSID40370496;FT-0687416;3-hydroxy-2,3-dimethylbutan-2-yl hydrogen 1H-indol-5-ylboronate;5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;MFCD03789263;A5278;FATPQDPUKVVCLT-UHFFFAOYSA-N;BCP10037;FT-0644223;J-516197;Z1741960625;269410-24-4;5-indole boronic acid pinacol ester;AM62764;INDOLE-5-BORONIC ACID, PINACOL ESTER;PB14363;SCHEMBL9918;CS-0041510;5-(4,4,5,5,-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-indole;SY021939;AKOS000283817;GS-6535;EN300-212557;5-Indoleboronic acid pinacol ester, 97%;J-016625;DTXCID10321531;DB-009206;

标识符

MDL：

MFCD03789263

InChIKey：

FATPQDPUKVVCLT-UHFFFAOYSA-N

Inchi：

1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)11-5-6-12-10(9-11)7-8-16-12/h5-9,16H,1-4H3

SMILES：

O1B(C2C=CC3=C(C=CN3)C=2)OC(C)(C)C1(C)C

5-吲哚硼酸频哪醇酯(269410-24-4)物化性质

实验特性

LogP : 2.46710
PSA : 34.25000
折射率 : 1.562
水溶性 : 不溶
沸点 : 396℃ at 760 mmHg
熔点 : 120-125 °C (lit.)
闪点 : 193.3°C
颜色与性状 : 浅黄色的固体
溶解性 : 不能溶解于水的
密度 : 1.11

计算特性

精确分子量 : 243.14300
氢键供体数量 : 1
氢键受体数量 : 2
可旋转化学键数量 : 1
同位素质量 : 243.143
重原子数量 : 18
复杂度 : 316
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 : 34.2

5-吲哚硼酸频哪醇酯(269410-24-4)安全信息

符号： GHS07
WGK Germany： 3
安全术语： S26;S36/37/39
安全说明： S26-S36-S36/37/39
风险术语： R22; R36/37/38
危险品标志： Xn
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
提示语：警告
储存条件： Store long-term at -20°C
危险类别码： 36/37/38
信号词： Warning

5-吲哚硼酸频哪醇酯(269410-24-4)海关数据

海关编码：

2933990090

海关数据：

中国海关编码：

2933990090

概述：

2933990090. 其他仅含氮杂原子的杂环化合物. 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, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

Summary：

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

5-吲哚硼酸频哪醇酯(269410-24-4)推荐厂家更多厂家(42)

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巨胜化学研究院	18064118002 027-59599240	陈盼	1400838822	询单

5-吲哚硼酸频哪醇酯(269410-24-4)上下游

1-Boc-吲哚-5-硼酸频哪醇酯

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5-吲哚硼酸频哪醇酯(269410-24-4)参考资料

Reaxys RN：

9628005

PubChem CID：

2734772

5-吲哚硼酸频哪醇酯(269410-24-4) MSDS

基础信息

Name:	5-(4 4 5 5-Tetramethyl-1 3 2-dioxaborolan- 2-yl)-1H-indole Material Safety Data Sheet
Synonym:	Indole-5-boronic acid pinacol este
CAS:	269410-24-4

Section 1 - Chemical Product ? MSDS Name:5-(4 4 5 5-Tetramethyl-1 3 2-dioxaborolan- 2-yl)-1H-indole Material Safety Data Sheet
Synonym:Indole-5-boronic acid pinacol este

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
269410-24-4	5-(4,4,5,5-Tetramethyl-1,3,2-dioxaboro		unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
? Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
? General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
? Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 269410-24-4: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Solid
Color: pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 114 - 116.5 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Insoluble.
Specific Gravity/Density:
Molecular Formula: C14H18BNO2
Molecular Weight: 243.11

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, halogens, mineral acids.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide, oxides of boron.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 269410-24-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan- 2-yl)-1H-indole - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
?

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
?
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 269410-24-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 269410-24-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 269410-24-4 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A