136099-65-5 (5-甲基-1-苯并噻吩-2-基硼酸,5-Methylbenzobthiophene-2-boronic acid)

CAS号:
136099-65-5
中文名称:
5-甲基-1-苯并噻吩-2-基硼酸
英文名称:
5-Methylbenzobthiophene-2-boronic acid
分子式:
C9H9BO2S
分子量:
192.042561292648

5-甲基-1-苯并噻吩-2-基硼酸(136099-65-5)名称与标识符

名称

中文别名:
5-甲基-1-苯并噻吩-2-基硼酸;5-甲基苯并噻吩-2-硼酸;5-甲基-1-苯并噻吩-2-硼酸;5-甲基苯并[B]噻吩-2-硼酸;
英文别名:
5-Methylbenzo[b]thiophene-2-boronic acid;5-Methylbenzothiphene-2-boronic acid;5-methyl-1-benzothiophen-2-ylboronic acid;(5-methyl-1-benzothiophen-2-yl)boronic acid;Boronic acid, B-(5-methylbenzo[b]thien-2-yl)-;2-Borono-5-methylbenzo[b]thiophene;5-methylbenzo[b]thiophen-2-ylboronic acid;A22970;AKOS011560074;PS-9458;Boronic acid, B-(5-methylbenzo(B)thien-2-yl)-;DTXSID20383286;CS-0175860;AB23067;CHEMBL238243;SCHEMBL289762;DHNHZPQPQAINDI-UHFFFAOYSA-N;F82907;G45937Q6VZ;B-(5-Methylbenzo(B)thien-2-yl)boronic acid;PD182639;136099-65-5;J-517803;5-METHYLBENZOTHIOPHENE-2-BORONIC ACID;FT-0643252;5-Methylbenzo(B)thiophene-2-boronic acid;MFCD06200866;UNII-G45937Q6VZ;5-methylbenzo[b]thiophene-2-boronicacid;(5-methylbenzo[b]thiophen-2-yl)boronic acid;5-methyl-benzo[b]thiophen-2-ylboronic acid;BDBM50225371;DB-015126;

标识符

MDL:
MFCD06200866
InChIKey:
DHNHZPQPQAINDI-UHFFFAOYSA-N
Inchi:
1S/C9H9BO2S/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12/h2-5,11-12H,1H3
SMILES:
S1C(B(O)O)=CC2C=C(C)C=CC1=2

5-甲基-1-苯并噻吩-2-基硼酸(136099-65-5)物化性质

实验特性

  • LogP : 0.88950
  • PSA : 68.70000
  • 折射率 : 1.648
  • 沸点 : 399.6°Cat760mmHg
  • 熔点 : 100 °C
  • 闪点 : 195.5°C
  • 密度 : 1.3

计算特性

  • 精确分子量 : 192.04200
  • 氢键供体数量 : 2
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 1
  • 同位素质量 : 192.042
  • 重原子数量 : 13
  • 复杂度 : 189
  • 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 : 68.7A^2

5-甲基-1-苯并噻吩-2-基硼酸(136099-65-5)安全信息

5-甲基-1-苯并噻吩-2-基硼酸(136099-65-5) MSDS

基础信息

Name:5-Methylbenzo[b]thiophene-2-boronic acid Material Safety Data Sheet
Synonym:None Known
CAS:136099-65-5
Section 1 - Chemical Product ? MSDS Name:5-Methylbenzo[b]thiophene-2-boronic acid Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
136099-65-55-Methylbenzo[b]thiophene-2-boronic ac97+%unlisted
Hazard Symbols: XN
Risk Phrases: 22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Causes respiratory tract irritation.
Chronic:
No information found.

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. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:

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. Avoid generating dusty conditions.

Section 7 - HANDLING and STORAGE
? Handling:
Use with adequate ventilation. Minimize dust generation and accumulation. 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# 136099-65-5: 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: White
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 192 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: C9H9BO2S
Molecular Weight: 192.05

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, strong acids, strong bases, hydrogen fluoride.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide, borane, boron oxides.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 136099-65-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Methylbenzo[b]thiophene-2-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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 22 Do not breathe dust.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 136099-65-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 136099-65-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 136099-65-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A