3-甲基-5,6-二氢咪唑[2,1-B][1,3]噻唑-2-羧酸盐酸盐 | 34467-12-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并噻唑类
• 中文名称: 3-甲基-5,6-二氢咪唑[2,1-B][1,3]噻唑-2-羧酸盐酸盐
• 英文名称: 3-methyl-5,6-dihydro-imidazo[2,1-b]thiazole-2-carboxylic acid ethyl ester; hydrochloride
• 英文别名: ethyl 3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydron;chloride
• CAS: 34467-12-4
• 化学式: C₉H₁₂N₂O₂S*ClH
• 分子量: 248.733
• InChiKey: SMNIBALWWVPOJC-UHFFFAOYSA-N

物化性质

• 熔点：
  194-195

计算性质

• 辛醇/水分配系数(LogP)：
  1.62
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  67.2
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2934100090

SDS

Name:	Ethyl 3-methyl-5 6-dihydroimidazo[2 1-b][1 3]thiazole-2-carboxylate Material Safety Data Sheet
Synonym:
CAS:	34467-12-4

Section 1 - Chemical Product MSDS Name:Ethyl 3-methyl-5 6-dihydroimidazo[2 1-b][1 3]thiazole-2-carboxylate Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
34467-12-4	Ethyl 3-methyl-5,6-dihydroimidazo[2,1-	95+%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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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.
Notes to Physician:
Treat symptomatically and supportively.

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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.

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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.

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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.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 34467-12-4: 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.

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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: 194 - 195 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: C9H13ClN2O2S
Molecular Weight: 248.73

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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 34467-12-4: NJ5928360 LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate hydrochloride - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 34467-12-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 34467-12-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 34467-12-4 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3-甲基-5,6-二氢咪唑[2,1-B][1,3]噻唑-2-羧酸盐酸盐 、 ammonium hydroxide 生成 3-methyl-5,6-dihydro-imidazo[2,1-b]thiazole-2-carboxylic acid ethyl ester
  参考文献：
  名称：

  ROBERT J. F.; PANOUSE J. J.; COMBRISSON S., TETRAHEDRON , 1975, 31, NO 7, 725-731

  摘要：

  DOI：
• 作为产物：
  描述：

  亚乙基硫脲 、 2-氯乙酰乙酸乙酯 以 乙醇 为溶剂， 反应 18.0h， 以50%的产率得到3-甲基-5,6-二氢咪唑[2,1-B][1,3]噻唑-2-羧酸盐酸盐
  参考文献：
  名称：

  结构变化对一系列咪唑并噻唑和噻唑并二苯并咪唑的急性毒性和抗炎活性的影响。

  摘要：

  描述了结构变化对一系列咪唑并噻唑和噻唑基苯并咪唑的生物活性的影响。发现在环系统的2或3位具有极性取代基的化合物在维持抗炎活性的同时毒性较小。其他结构变化，例如在6位掺入宝石二甲基取代基，会增加急性毒性并消除抗炎活性。具有最佳活性/毒性比的化合物在噻唑环上包含烷基磺酰基取代基。噻唑并苯并咪唑类似物比咪唑类似物更有效。

  DOI：

  10.1021/jm00137a022

文献信息

• Effect of structural change on acute toxicity and antiinflammatory activity in a series of imidazothiazoles and thiazolobenzimidazoles
  作者：Larry J. Powers、S. W. Fogt、Z. S. Ariyan、D. J. Rippin、R. D. Heilman、Richard J. Matthews

  DOI：10.1021/jm00137a022

  日期：1981.5

  The effect of structural change on the biological activity of a series of imidazothiazoles and thiazolobenzimidazoles is described. It was found that compounds with polar substituents at the 2 or 3 position of the ring system are less acutely toxic while maintaining antiinflammatory activity. Other structural changes, such as the incorporation of a gem-dimethyl substituent in the 6 position, increase

  描述了结构变化对一系列咪唑并噻唑和噻唑基苯并咪唑的生物活性的影响。发现在环系统的2或3位具有极性取代基的化合物在维持抗炎活性的同时毒性较小。其他结构变化，例如在6位掺入宝石二甲基取代基，会增加急性毒性并消除抗炎活性。具有最佳活性/毒性比的化合物在噻唑环上包含烷基磺酰基取代基。噻唑并苯并咪唑类似物比咪唑类似物更有效。
• ROBERT J. F.; PANOUSE J. J.; COMBRISSON S., TETRAHEDRON <TETR-AB>, 1975, 31, NO 7, 725-731
  作者：ROBERT J. F.、 PANOUSE J. J.、 COMBRISSON S.

  DOI：——

  日期：——