硫酸3-氨基苯基硼酸

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学

硫酸3-氨基苯基硼酸 基本信息

中文名称:
硫酸3-氨基苯基硼酸 
中文别名:
3-氨基苯硼酸半硫酸盐;
3-氨基苯基硼酸半硫酸盐;
硫酸3-氨基苯基硼酸 
英文名称:
3-Aminophenylboronic acid hemisulfate
英文别名:
3-Aminobenzeneboronic acid hemisulfate salt;
(3-aminophenyl)boronic acid,sulfuric acid 
CAS No.:
66472-86-4
分 子 式:
C6H8BNO2.0.5H2SO4
分 子 量:
371.96
精确分子量:
372.09700
PSA:
215.94000
MDL:
MFCD00013111
EINECS:
266-376-5
BRN:
8094151
InChI:
InChI=1/C6H8BNO2.H2O4S/c8-6-3-1-2-5(4-6)7(9)10;1-5(2,3)4/h1-4,9-10H,8H2;(H2,1,2,3,4)
危险品标志:
Xi:Irritant
风险术语:
R36/37/38;
安全术语:
S26; S37/39;
分子结构式:
SDS:
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硫酸3-氨基苯基硼酸 制备方法及用途

制备方法

制备联芳基化合物原料

用途简介

用途

    制备联芳基化合物原料

硫酸3-氨基苯基硼酸 物化性质

外观与性状:
灰白色结晶粉末
密度:
1.23g/cm3
熔点:
300ºC
沸点:
376ºC at 760 mmHg
闪点:
181.2ºC
存储条件/存储方法:

存放在密封容器内,并放在阴凉,干燥处。储存的地方必须远离氧化剂,避免接触湿气和水源。

稳定性相关:

远离氧化物,水分/潮湿。

其它信息:

1.       性状:微白色粉末。

2.       密度(g/mL,25/4℃):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):>300

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:未确定

8.       闪点(ºC):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,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。

硫酸3-氨基苯基硼酸 安全信息

海关代码:
29310095
危险类别码:
R36/37/38
安全说明:
S26-S37/39
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
危险标志:
Xi:Irritant;

硫酸3-氨基苯基硼酸 毒理性

生态数据:

对水稍微有危害的,不要让未稀释或者大量产品接触地下水,水道或者污水系统。若无政府许可,勿将材料排入周围环境。

硫酸3-氨基苯基硼酸 MSDS

Name: 3-Aminophenylboronic acid hemisulfate, 98% Material Safety Data Sheet
Synonym: 3-Aminobenzeneboronic acid hemisulfate.
CAS: 66472-86-4
Section 1 - Chemical Product MSDS Name: 3-Aminophenylboronic acid hemisulfate, 98% Material Safety Data Sheet
Synonym: 3-Aminobenzeneboronic acid hemisulfate.
SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
66472-86-4 3-Aminophenylboronic acid hemisulfate 98 266-376-5
Hazard Symbols: XI
Risk Phrases: 36/37/38
SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin.Hygroscopic (absorbs moisture from the air). Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation.
Chronic:
No information found.
SECTION 4 - FIRST AID MEASURES
Eyes:
Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid.
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:


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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate 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. Avoid generating dusty conditions. Provide ventilation.
SECTION 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid breathing dust.
Storage:
Store in a cool, dry place. Keep refrigerated. (Store below 4C/39F.) 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 general or local explosion-proof ventilation to keep airborne levels to acceptable levels. Exposure Limits CAS# 66472-86-4: Personal Protective Equipment
Eyes:
Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Crystalline powder
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: > 300 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:
Specific Gravity/Density:
Molecular Formula: C6H8NO2B.0.5H2SO4
Molecular Weight: 186.00
SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation, moisture, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide, oxides of boron, borane.
Hazardous Polymerization: Has not been reported.
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 66472-86-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Aminophenylboronic acid hemisulfate - 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# 66472-86-4: No information available. Canada CAS# 66472-86-4 is listed on Canada's DSL List. CAS# 66472-86-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 66472-86-4 is not listed on the TSCA inventory. It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 9/02/1997 Revision #3 Date: 1/27/2005 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

SECTION 16 - ADDITIONAL INFORMATION
N/A

硫酸3-氨基苯基硼酸 分子结构与计算化学数据

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:8

3.氢键受体数量:10

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积216

7.重原子数量:25

8.表面电荷:0

9.复杂度:191

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:3

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