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

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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