60166-86-1 (5-甲基磺酰噻吩-2-羧酸,5-(Methylsulfonyl)thiophene-2-carboxylic acid)

CAS号:
60166-86-1
中文名称:
5-甲基磺酰噻吩-2-羧酸
英文名称:
5-(Methylsulfonyl)thiophene-2-carboxylic acid
分子式:
C6H6O4S2
分子量:
206.239439487457

5-甲基磺酰噻吩-2-羧酸(60166-86-1)名称与标识符

名称

中文别名:
5-甲磺酰基噻吩-2-甲酸;5-甲磺酰噻吩-2-甲酸;5-甲磺酰噻吩-2-羧酸;5-甲基磺酰噻吩-2-羧酸;2-甲基磺酰基-5-噻吩羧酸;
英文别名:
5-(Methylsulfonyl)thiophene-2-carboxylic acid;2-Thiophenecarboxylicacid, 5-(methylsulfonyl)-;5-(METHYLSULPHONYL)THIOPHENE-2-CARBOXYLIC ACID;5-methylsulfonylthiophene-2-carboxylic acid;5-(Methanesulfonyl)-2-thiophenecarboxylic acid;C6H6O4S2;5-(methylsulfonyl)thiophene-2-carboxylic acid, AldrichCPR;Z1202231869;DB-004895;SLWRTVINHWIGTK-UHFFFAOYSA-N;5-methanesulfonyl-2-thiphenecarboxylic acid;5-methanesulfonylthiophene-2-carboxylic acid;SCHEMBL322182;5-Methanesulfonyl thiophene-2-carboxylic acid;PS-4633;5-methanesulfonyl-thiophene-2-carboxylic acid;CCG-252888;2-Thiophenecarboxylicacid,5-(methylsulfonyl)-;5-(METHYLSULFONYL)THIOPHENE-2-CARBOXYLICACID;AKOS016003772;CS-0205963;EN300-78011;HMS563E19;MFCD00173745;DTXSID60372376;(5-methylsulfonyl)thiophene-2-carboxylic acid;60166-86-1;Maybridge1_007675;

标识符

MDL:
MFCD00173745
InChIKey:
SLWRTVINHWIGTK-UHFFFAOYSA-N
Inchi:
1S/C6H6O4S2/c1-12(9,10)5-3-2-4(11-5)6(7)8/h2-3H,1H3,(H,7,8)
SMILES:
S(C)(C1=CC=C(C(=O)O)S1)(=O)=O

5-甲基磺酰噻吩-2-羧酸(60166-86-1)物化性质

实验特性

  • LogP : 1.93060
  • PSA : 108.06000
  • 折射率 : 1.584
  • 沸点 : 485.6°C at 760 mmHg
  • 熔点 : 204 °C
  • 闪点 : 247.5°C
  • 溶解度 : 微溶 (2.5 g/L) (25 ºC),
  • 密度 : 1.548±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 205.97100
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 2
  • 同位素质量 : 205.971
  • 重原子数量 : 12
  • 复杂度 : 276
  • 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
  • 疏水参数计算参考值(XlogP) : 1
  • 拓扑分子极性表面积 : 108A^2

5-甲基磺酰噻吩-2-羧酸(60166-86-1)安全信息

5-甲基磺酰噻吩-2-羧酸(60166-86-1)参考资料

Beilstein:
M185494
PubChem CID:

5-甲基磺酰噻吩-2-羧酸(60166-86-1) MSDS

基础信息

Name:5-(Methylsulfonyl)thiophene-2-carboxylic acid 97% Material Safety Data Sheet
Synonym:
CAS:60166-86-1
Section 1 - Chemical Product ? MSDS Name:5-(Methylsulfonyl)thiophene-2-carboxylic acid 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
60166-86-15-(Methylsulfonyl)thiophene-2-carboxyl97%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.
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 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.

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.

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# 60166-86-1: 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: white
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: C6H6O4S2
Molecular Weight: 206

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 60166-86-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-(Methylsulfonyl)thiophene-2-carboxylic 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# 60166-86-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 60166-86-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 60166-86-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A