英语词典化工词典

1H-Indole,5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

1H-Indole,5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

  • 中文别名：5-吲哚硼酸频哪醇酯
  • 中文释义：5-吲哚硼酸频哪醇酯;1H-吲哚-5-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;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
  • 英文别名：5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;
    5-Indolylboronic acid,pinacol ester;
    5-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;
    pinacol indol-5-ylboronate;
    1H-Indole-5-boronic acid pinacol ester;
    Indole-5-boronic acid pinacol ester;
    5-Indoleboronic Acid Pinacol Ester;
    5-Indoleboronic acid pinacol ester;
    5-Indoleboronicacidpinacolester 
  • CAS No.：269410-24-4
  • 分子式：

    C14H18BNO2

  • 分子量：243.11
  • 精确分子量：243.14300
  • PSA：34.25000
  • MDL：MFCD03789263
  • InChI：InChI=1/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
  • 分子结构式：

物化性质

密度：
1.11g/cm3
熔点：
120-125 °C(lit.)
沸点：
396ºC at 760mmHg
闪点：
193.3ºC
水溶解性：
Insoluble
折射率：
1.562
蒸汽压：
4.03E-06mmHg at 25°C
存储条件/存储方法：

保存方法：密闭，阴凉，干燥处

稳定性相关：

避氧化物、不相容的材料、矿物酸、卤素

其它信息：

1. 性状：浅黄色的固体

2. 密度（g/mL25 ºC）：未确定

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：114-116.5

5. 沸点（ºC,常压）：未确定

6. 沸点（ºC1mmHg）：未确定

7. 折射率：未确定

8. 闪点（ºF）：未确定

9. 比旋光度（º）：未确定

10. 自燃点或引燃温度（ºC）：未确定

11. 蒸气压（kPa,）：未确定

12. 饱和蒸气压（kPa,60ºC）：未确定

13. 燃烧热（KJ/mol）：未确定

14. 临界温度（ºC）：未确定

15. 临界压力（KPa）：未确定

16. 油水（辛醇/水）分配系数的对数值：未确定

17. 爆炸上限（%,V/V）：未确定

18. 爆炸下限（%,V/V）：未确定

19. 溶解性：不能溶解于水的

安全信息

密度：
1.11g/cm3
熔点：
120-125 °C(lit.)
沸点：
396ºC at 760mmHg
闪点：
193.3ºC
水溶解性：
Insoluble
折射率：
1.562
蒸汽压：
4.03E-06mmHg at 25°C
存储条件/存储方法：

保存方法：密闭，阴凉，干燥处

稳定性相关：

避氧化物、不相容的材料、矿物酸、卤素

其它信息：

1. 性状：浅黄色的固体

2. 密度（g/mL25 ºC）：未确定

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：114-116.5

5. 沸点（ºC,常压）：未确定

6. 沸点（ºC1mmHg）：未确定

7. 折射率：未确定

8. 闪点（ºF）：未确定

9. 比旋光度（º）：未确定

10. 自燃点或引燃温度（ºC）：未确定

11. 蒸气压（kPa,）：未确定

12. 饱和蒸气压（kPa,60ºC）：未确定

13. 燃烧热（KJ/mol）：未确定

14. 临界温度（ºC）：未确定

15. 临界压力（KPa）：未确定

16. 油水（辛醇/水）分配系数的对数值：未确定

17. 爆炸上限（%,V/V）：未确定

18. 爆炸下限（%,V/V）：未确定

19. 溶解性：不能溶解于水的

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
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

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
摘要/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%

分子结构与计算化学数据

分子结构数据

1、 摩尔折射率：70.93

2、 摩尔体积（cm3/mol）：218.5

3、 等张比容（90.2K）：548.1

4、 表面张力（dyne/cm）：39.5

5、 极化率（10-24cm3）：28.12

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:1

3.氢键受体数量:2

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积34.2

7.重原子数量:18

8.表面电荷:0

9.复杂度:316

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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