132898-95-4 (2,2'-双噻吩-5-硼酸,2,2-Bithiophene-5-boronic acid)

CAS号:
132898-95-4
中文名称:
2,2'-双噻吩-5-硼酸
英文名称:
2,2-Bithiophene-5-boronic acid
分子式:
C8H7BO2S2
分子量:
210.080979585648

2,2'-双噻吩-5-硼酸(132898-95-4)名称与标识符

名称

中文别名:
2,2 -双噻吩-5-硼酸;2,2-Bi噻吩-5-硼酸;2,2'-联噻吩-5-硼酸;2,2'-双噻吩-5-硼酸;[2,2'-联噻吩]-5-基硼酸;
英文别名:
[2,2'-Bithiophen]-5-ylboronic acid;2,2-Bithiophene-5-Boronic Acid;2,2'-bithiophen-5-ylboronic acid;2,2'-BITHIOPHENE-5-BORONIC ACID;Boronic acid, B-[2,2'-bithiophen]-5-yl-;(5-thiophen-2-ylthiophen-2-yl)boronic acid;AKOS BRN-0463;5-Borono-2,2'-bithiophene;5-(THIOPHEN-2-YL)THIOPHEN-2-YLBORONIC ACID;3-(3-AMINO-4-HYDROXY-PHENYL)-PROPIONICACID;(2,2'-bithiophen)-5-yl-boronic acid;J-006246;2,2 inverted exclamation mark -Bithiophene-5-boronic Acid;SY316767;PPHSULIZZOEBDD-UHFFFAOYSA-N;132898-95-4;Boronic acid,B-[2,2'-bithiophen]-5-yl-;DTXSID90380065;SCHEMBL288467;2,2/'-BITHIOPHENE-5-BORONIC ACID;CS-0173966;MFCD03086112;2,2'-bithiophene-5-boronic acid, AldrichCPR;BS-20675;AKOS004119251;FT-0609195;{[2,2'-bithiophen]-5-yl}boronic acid;C8H7BO2S2;A806521;AB13111;2,2''-Bithiophene-5-boronic Acid;DB-013945;

标识符

MDL:
MFCD03086112
InChIKey:
PPHSULIZZOEBDD-UHFFFAOYSA-N
Inchi:
1S/C8H7BO2S2/c10-9(11)8-4-3-7(13-8)6-2-1-5-12-6/h1-5,10-11H
SMILES:
S1C(B(O)O)=CC=C1C1=CC=CS1

2,2'-双噻吩-5-硼酸(132898-95-4)物化性质

实验特性

  • LogP : 1.15640
  • PSA : 96.94000
  • 折射率 : 1.658
  • 沸点 : 416.1±55.0 °C at 760 mmHg
  • 熔点 : 163-165℃
  • 蒸气压 : 0.0±1.0 mmHg at 25°C
  • 闪点 : 205.5±31.5 °C
  • 密度 : 1.4±0.1 g/cm3

计算特性

  • 精确分子量 : 209.99800
  • 氢键供体数量 : 2
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 2
  • 同位素质量 : 209.998
  • 重原子数量 : 13
  • 复杂度 : 180
  • 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
  • 拓扑分子极性表面积 : 96.9A^2

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2,2'-双噻吩-5-硼酸(132898-95-4) MSDS

基础信息

Name:2 2 -Bithiophene-5-boronic acid 97% Material Safety Data Sheet
Synonym:
CAS:132898-95-4
Section 1 - Chemical Product ? MSDS Name:2 2 -Bithiophene-5-boronic acid 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
132898-95-42,2'-Bithiophene-5-boronic acid97%unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Moisture sensitive.
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 foam, dry chemical, or carbon dioxide.

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.
Store under nitrogen.

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# 132898-95-4: 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: blue
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 127 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: C8H7BO2S2
Molecular Weight: 210.08

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents, bases, reducing agents, halogens, halogenated agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide, acrid smoke and fumes, oxides of boron.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 132898-95-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,2'-Bithiophene-5-boronic 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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# 132898-95-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 132898-95-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 132898-95-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A