4-(4,4,5,5-四甲基-1,3,2-二氧硼戊环-2-基)苯甲酸乙酯

4-(4,4,5,5-四甲基-1,3,2-二氧硼戊环-2-基)苯甲酸乙酯 基本信息
CAS号 195062-62-5 分子式 C15H21BO4
分子量 276.13600 精确质量 　276.15300
PSA 　44.76000 LogP 　2.16250
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目录
基本信息 物化性质 安全信息 合成路线 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
195062-62-5
分子式：
C15H21BO4
分子量：
276.13600
中文名称：
4-(4,4,5,5-四甲基-1,3,2-二氧硼戊环-2-基)苯甲酸乙酯
英文名称：
ETHYL 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE
中文别名：
4-(4,4,5,5-四甲基-1,3,2-二氧硼戊环-2-基)苯甲酸乙酯;
4-乙氧羰基苯硼酸频哪醇酯
英文别名：
ETHYL 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE;
2-(4-ethoxycarbonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;
ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolyl)benzoate;
4-Carboethoxyphenylboronic acid pinacol ester;
4-Ethoxycarbonylphenylboronic acid pinacol ester;
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)benzoic acid ethyl ester;
BM037;
ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborol-2-yl)benzoate;
4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid ethyl ester
精确分子量/精确质量：
276.15300
极性分子表面积/PSA：
44.76000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：
MFCD02683499
PubChem：
24874627

物化性质展开↓

外观与性状：
透明淡黄色粘性液体
密度：
1.052g/mLat25ºC(lit.)
沸点：
330ºC(lit.)
闪点：
>230
折射率：
n20/D 1.5(lit.)
蒸汽压：
1.12E-05mmHg at 25°C
存储条件/存储方法：

保存方法：密闭4°C以下

稳定性相关：

避氧化物

其它信息：

1.      性状：浅黄色的透明粘稠液体

2.      密度（g/mL）：1.052

3.      相对蒸汽密度（g/mL,空气=1）未确定

4.      熔点（ºC）：未确定

5.      沸点（ºC,常压）：330

6.      沸点（ºC8mmHg）：未确定

7.      折射率：n20/D 1.5

8.      闪点（ºF）：>230

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,25ºC）：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：未确定

安全信息展开↓

海关代码：
2934999090
安全说明：
S24/25
安全标志：
S24/25:防止皮肤和眼睛接触。

合成路线查看所有的合成路线

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MSDS 展开↓

Name: Ethyl 4-(4 4 5 5-tetramethyl-1 3 2-dioxaborolan-2-yl)benzoate Material Safety Data Sheet
Synonym:
CAS: 195062-62-5
Section 1 - Chemical Product   MSDS Name:Ethyl 4-(4 4 5 5-tetramethyl-1 3 2-dioxaborolan-2-yl)benzoate Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
195062-62-5 Ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dio unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause 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.
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.
Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Keep refrigerated. (Store below 4C/39F.) Store in a tightly closed container. Store in a dry area.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 195062-62-5: 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: Viscous liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 330 deg C @760mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 110 deg C (> 230.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Insoluble.
Specific Gravity/Density: 1.052
Molecular Formula: C15H21BO4
Molecular Weight: 276.14
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, boron oxides.
Hazardous Polymerization: Will not occur.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 195062-62-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 195062-62-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 195062-62-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 195062-62-5 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

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
摘要/Summary：
2934999090. other heterocyclic compounds. 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展开↓

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:0

3.氢键受体数量:4

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积44.8

7.重原子数量:20

8.表面电荷:0

9.复杂度:343

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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