4-甲氧基-2-甲酰基苯硼酸; 2-醛基-4-甲氧基苯硼酸

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 结构与计算化学
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4-甲氧基-2-甲酰基苯硼酸; 2-醛基-4-甲氧基苯硼酸 基本信息

中文名称:
4-甲氧基-2-甲酰基苯硼酸; 2-醛基-4-甲氧基苯硼酸 
中文别名:
4-甲氧基-2-甲酰基苯硼酸;
(2-甲酰基-4-甲氧苯基)硼酸 
英文名称:
Boronic acid,B-(2-formyl-4-methoxyphenyl)-
英文别名:
4-Methoxy-2-formylphenylboronic acid;
2-Formyl-4-methoxyphenylboronic acid;
(2-formyl-4-methoxyphenyl)boronic acid 
CAS No.:
139962-95-1
分 子 式:
C8H9BO4
分 子 量:
179.97
精确分子量:
180.05900
PSA:
66.76000
MDL:
MFCD01319043
InChI:
InChI=1/C8H9BO4/c1-13-7-2-3-8(9(11)12)6(4-7)5-10/h2-5,11-12H,1H3
危险品标志:
风险术语:
R36/37/38   
安全术语:
S26;S37/39
分子结构式:
SDS:
查看

4-甲氧基-2-甲酰基苯硼酸; 2-醛基-4-甲氧基苯硼酸 物化性质

外观与性状:
白色至淡黄色粉末
密度:
1.25g/cm3
熔点:
148 °C
沸点:
395.2ºC at 760mmHg
闪点:
192.8ºC
折射率:
1.537
蒸汽压:
5.89E-07mmHg at 25°C

4-甲氧基-2-甲酰基苯硼酸; 2-醛基-4-甲氧基苯硼酸 安全信息

危险类别码:
R36/37/38
安全说明:
S37/39-S26
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。
:
危险标志:
Xi: Irritant;

4-甲氧基-2-甲酰基苯硼酸; 2-醛基-4-甲氧基苯硼酸 MSDS

Name: 4-Methoxy-2-Formylphenylboronic Acid Material Safety Data Sheet
Synonym: None Known
CAS: 139962-95-1
Section 1 - Chemical Product   MSDS Name:4-Methoxy-2-Formylphenylboronic Acid Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
139962-95-1 4-Methoxy-2-Formylphenylboronic Acid ca. 100 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. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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. Do NOT use mouth-to-mouth resuscitation.
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. 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 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a tightly closed container. Store in a dry area. Keep refrigerated. (Store below 4C/39F.)

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# 139962-95-1: 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: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C8H9BO4
Molecular Weight: 179.96

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, light, dust generation, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents, acids, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, boron oxides.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 139962-95-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Methoxy-2-Formylphenylboronic Acid - 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# 139962-95-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 139962-95-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 139962-95-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

4-甲氧基-2-甲酰基苯硼酸; 2-醛基-4-甲氧基苯硼酸 分子结构与计算化学数据

分子结构数据

1、摩尔折射率:44.62

2、摩尔体积(cm3/mol):142.8

3、等张比容(90.2K):377.5

4、表面张力(dyne/cm):48.7

5、介电常数:无可用的

6、极化率(10-24cm3):17.68

7、单一同位素质量:180.05939 Da

8、标称质量:180 Da

9、平均质量:179.9657 Da

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:2

3.氢键受体数量:4

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积66.8

7.重原子数量:13

8.表面电荷:0

9.复杂度:174

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

4-甲氧基-2-甲酰基苯硼酸; 2-醛基-4-甲氧基苯硼酸 上游产品

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