2-(4-氯苯基)-4-羟基-1,3-噻唑-5-羧酸乙酯 | 263016-08-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-(4-氯苯基)-4-羟基-1,3-噻唑-5-羧酸乙酯
• 英文名称: ethyl 2-(4-chlorophenyl)-4-hydroxy-1,3-thiazole-5-carboxylate
• CAS: 263016-08-6
• 化学式: C₁₂H₁₀ClNO₃S
• mdl: MFCD00816787
• 分子量: 283.735
• InChiKey: GTTLQUWXZGMKGX-UHFFFAOYSA-N

物化性质

• 熔点：
  137-139
• 溶解度：
  40.8 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  87.7
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S24/25
• 危险类别码：
  R36/37/38
• 海关编码：
  2934100090

SDS

Name:	Ethyl 2-(4-chlorophenyl)-4-hydroxy-1 3-thiazole-5-carboxylate 97% Material Safety Data Sheet
Synonym:
CAS:	263016-08-6

Section 1 - Chemical Product MSDS Name:Ethyl 2-(4-chlorophenyl)-4-hydroxy-1 3-thiazole-5-carboxylate 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
263016-08-6	Ethyl 2-(4-chlorophenyl)-4-hydroxy-1,3	97%	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# 263016-08-6: 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: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 137 - 139 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: C12H10ClNO3S
Molecular Weight: 284

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, bases, amines.
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# 263016-08-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 2-(4-chlorophenyl)-4-hydroxy-1,3-thiazole-5-carboxylate - Not listed by ACGIH, IARC, or NTP.

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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# 263016-08-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 263016-08-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 263016-08-6 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：

  2-(4-氯苯基)-4-羟基-1,3-噻唑-5-羧酸乙酯 在 盐酸 、 N,N'-羰基二咪唑 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 为溶剂， 反应 5.17h， 生成 N-acetyl-2-(4-chlorophenyl)-4-hydroxy-1,3-thiazole-5-carbohydrazide
  参考文献：
  名称：

  [EN] TRPM8 ANTAGONISTS
  [FR] ANTAGONISTES DE TRPM8

  摘要：

  该发明涉及作为Transient Receptor Potential阳离子通道亚家族M成员8 (TRPM8)的选择性拮抗剂的化合物，其化学式为(I)。所述化合物在治疗与TRPM8活性相关的疾病方面具有用途，如疼痛、炎症、缺血、神经退行性疾病、中风、精神障碍、瘙痒、肠易激综合征、冷诱导和/或加重的呼吸道疾病以及泌尿系统疾病。

  公开号：

  WO2013092711A1
• 作为产物：
  描述：

  溴代丙二酸二乙酯 、 4-氯硫代苯甲酰胺 以 乙醇 为溶剂， 反应 0.5h， 以71%的产率得到2-(4-氯苯基)-4-羟基-1,3-噻唑-5-羧酸乙酯
  参考文献：
  名称：

  Discovery of Novel TRPM8 Blockers Suitable for the Treatment of Somatic and Ocular Painful Conditions: A Journey through pK_a and LogD Modulation

  摘要：

  DOI：

  10.1021/acs.jmedchem.1c01647

文献信息

• Trpm8 antagonists
  申请人：Dompe' S.P.A.

  公开号：EP2606888A1

  公开（公告）日：2013-06-26

  The invention relates to compounds acting as selective antagonists of Transient Receptor Potential cation channel subfamily M member 8 (TRPM8), and having formula: Said compounds are useful in the treatment of diseases associated with activity of TRPM8 such as pain, inflammation, ischaemia, neurodegeneration, stroke, psychiatric disorders, inflammatory conditions and urological disorders.

  该发明涉及作为瞬时受体电位阳离子通道亚家族M成员8（TRPM8）的选择性拮抗剂的化合物，其化学式为：这些化合物在治疗与TRPM8活性相关的疾病方面具有用途，如疼痛、炎症、缺血、神经退行性疾病、中风、精神障碍、炎症性疾病和泌尿系统疾病。
• TRPM8 ANTAGONISTS
  申请人：Dompe' S.p.A.

  公开号：EP2793883A1

  公开（公告）日：2014-10-29
• US9585875B2
  申请人：——

  公开号：US9585875B2

  公开（公告）日：2017-03-07
• US9856246B2
  申请人：——

  公开号：US9856246B2

  公开（公告）日：2018-01-02