1,3-二甲基-1H-噻吩[2,3-C]吡唑-5-碳酰氯 | 388088-75-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 中文名称: 1,3-二甲基-1H-噻吩[2,3-C]吡唑-5-碳酰氯
• 英文名称: 1,3-dimethyl-1H-thieno[2,3-c]pyrazole-5-carbonyl chloride
• 英文别名: 1,3-dimethylthieno[2,3-c]pyrazole-5-carbonyl chloride
• CAS: 388088-75-3
• 化学式: C₈H₇ClN₂OS
• mdl: MFCD03086153
• 分子量: 214.675
• InChiKey: BQOTYHLFKDBAGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  63.1
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  C
• 危险类别码：
  R34
• 海关编码：
  2934999090
• 安全说明：
  S26,S36/37/39,S45

SDS

Name:	1 3-Dimethyl-1H-thieno[2 3-c]pyrazole-5-carbonyl chloride 97% Material Safety Data Sheet
Synonym:
CAS:	388088-75-3

Section 1 - Chemical Product MSDS Name:1 3-Dimethyl-1H-thieno[2 3-c]pyrazole-5-carbonyl chloride 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
388088-75-3	1,3-Dimethyl-1H-thieno[2,3-c]pyrazole-	97	unlisted

Hazard Symbols: C
Risk Phrases: 34

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

---

Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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 foam, dry chemical, or carbon dioxide.

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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:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. Store under an inert atmosphere.

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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# 388088-75-3: 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: off-white
Odor: characteristic odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 165 - 167 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: C8H7ClN2OS
Molecular Weight: 214.68

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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.
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# 388088-75-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,3-Dimethyl-1H-thieno[2,3-c]pyrazole-5-carbonyl chloride - 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
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3261
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
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.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 388088-75-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 388088-75-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 388088-75-3 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：

  ER-824188-00 、 1,3-二甲基-1H-噻吩[2,3-C]吡唑-5-碳酰氯 在 三乙胺 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 0.03h， 以60%的产率得到ER-814022-00
  参考文献：
  名称：

  [EN] IMIDAZOAZEPINONE COMPOUNDS
  [FR] COMPOSÉS IMIDAZOAZÉPINONES

  摘要：

  化合物的化学式（I）如下所述：化学式（I）包括其药用可接受的盐，以及其药物制剂或药物，以及其在治疗动脉粥样硬化、多发性硬化、牛皮癣和类风湿性关节炎等疾病中的用途。

  公开号：

  WO2011011494A1
• 作为产物：
  描述：

  N-(4-chlorophenyl)-N-{(2S,4R)-1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl}acetamide 、 1-isopropyl-1H-pyrazole-4-carbonyl chloride 、 1,3-二甲基-1H-噻吩并[2,3-c]吡唑-5-羧酸 、 草酰氯 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-(4-chlorophenyl)-N-{(2S,4R)-1-[(1,3-dimethyl-1H-thieno[2,3-c]pyrazol-5-yl)carbonyl]-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl}acetamide 、 1,3-二甲基-1H-噻吩[2,3-C]吡唑-5-碳酰氯
  参考文献：
  名称：

  PGD2 receptor antagonists for the treatment of inflammatory diseases

  摘要：

  本文揭示的是由结构式(I)和(I-A)所代表的化合物。还揭示了使用这些化合物来抑制G蛋白偶联受体，称为Th2表达的趋化因子受体同源分子或简称“CRTH2”，用于治疗炎症性疾病。结构式(I)和(I-A)中的变量在此定义。

  公开号：

  US20050256158A1

文献信息

• US7504508B2
  申请人：——

  公开号：US7504508B2

  公开（公告）日：2009-03-17
• [EN] IMIDAZOAZEPINONE COMPOUNDS<br/>[FR] COMPOSÉS IMIDAZOAZÉPINONES
  申请人：EISAI R&D MAN CO LTD

  公开号：WO2011011494A1

  公开（公告）日：2011-01-27

  Compound of Formula (I) are described: Forumla (I) including pharmaceutically acceptable salts thereof, as well as pharmaceutical formulations or medicaments thereof and the use thereof in the treatment of disorders such as atherosclerosis, multiple sclerosis, psoriasis, and rheumatoid arthritis.

  化合物的化学式（I）如下所述：化学式（I）包括其药用可接受的盐，以及其药物制剂或药物，以及其在治疗动脉粥样硬化、多发性硬化、牛皮癣和类风湿性关节炎等疾病中的用途。
• PGD2 receptor antagonists for the treatment of inflammatory diseases
  申请人：Ghosh Shomir

  公开号：US20050256158A1

  公开（公告）日：2005-11-17

  Disclosed herein are compounds represented by Structural Formula (I) and (I-A): Also disclosed is the use of such compounds for inhibiting the G-protein coupled receptor referred to as chemoattractant receptor-homologous molecule expressed on Th2, or simply “CRTH2” for the treatment of inflammatory disorders. The variables in Structural Formula (I) and (I-A) are defined herein.

  本文揭示了由结构式（I）和（I-A）表示的化合物：还披露了利用这些化合物抑制称为Th2表达的G蛋白偶联受体的化学引诱受体同源分子，简称“CRTH2”，用于治疗炎症性疾病。结构式（I）和（I-A）中的变量在此处被定义。