1-(4-氯苯基)-5-甲基-1H-吡唑-4-甲酰氯 | 288252-38-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-(4-氯苯基)-5-甲基-1H-吡唑-4-甲酰氯
• 英文名称: 1-(4-Chlorophenyl)-5-methyl-1H-pyrazole-4-carbonyl chloride
• 英文别名: 1-(4-chlorophenyl)-5-methylpyrazole-4-carboxylic chloride；1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl chloride
• CAS: 288252-38-0
• 化学式: C₁₁H₈Cl₂N₂O
• mdl: MFCD03407325
• 分子量: 255.103
• InChiKey: KUQHQFYKJPXTNB-UHFFFAOYSA-N

物化性质

• 熔点：
  115 °C

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• 海关编码：
  2933199090

SDS

Name:	1-(4-Chlorophenyl)-5-methyl-1H-pyrazole-4-carbonyl chloride 97% Material Safety Data Sheet
Synonym:
CAS:	288252-38-0

Section 1 - Chemical Product MSDS Name:1-(4-Chlorophenyl)-5-methyl-1H-pyrazole-4-carbonyl chloride 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
288252-38-0	1-(4-Chlorophenyl)-5-methyl-1H-pyrazol	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.

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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 nitrogen.

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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# 288252-38-0: 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: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 107 - 109 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: C11H8Cl2N2O
Molecular Weight: 255.1

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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.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 288252-38-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(4-Chlorophenyl)-5-methyl-1H-pyrazole-4-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# 288252-38-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 288252-38-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 288252-38-0 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：

  1-(4-氯苯基)-5-甲基-1H-吡唑-4-甲酰氯 在 4-二甲氨基吡啶 copper(l) iodide 、 cesium acetate 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 33.0h， 生成 1-(4-chloro-phenyl)-5-methyl-1H-pyrazole-4-carboxylic acid [1-(5-methanesulfonylamino-pyridin-3-yl)-butyl]-amide
  参考文献：
  名称：

  [EN] PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS
  [FR] COMPOSÉS DE PYRAZOLE COMME ANTAGONISTES DE CCR1

  摘要：

  公开的是公式I的化合物，它们可以阻断CCR1与其配体的相互作用，因此可用于治疗通过CCR1的活性介导或维持的各种疾病和疾病，包括类风湿性关节炎和多发性硬化等自身免疫疾病。还公开了包括这些化合物的药物组合物，使用这些化合物治疗各种疾病和疾病的方法，制备这些化合物的过程以及在这些过程中有用的中间体。

  公开号：

  WO2009137338A1
• 作为产物：
  描述：

  1-(4-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid ethyl ester 在 N,N-二甲基甲酰胺 氢氧化钾 、 草酰氯 、 水 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 13.0h， 生成 1-(4-氯苯基)-5-甲基-1H-吡唑-4-甲酰氯
  参考文献：
  名称：

  Pyrazole-amides and sulfonamides as sodium channel modulators

  摘要：

  本发明的化合物调节哺乳动物中的PN3，并且在治疗哺乳动物的疼痛方面是有用的。

  公开号：

  US20040220170A1

文献信息

• 롤 화장지 인출장치
  申请人：HAN MOON KYO 한문교(419980413753)

  公开号：KR20150002661U

  公开（公告）日：2015-07-08

  본 고안은 롤 화장지 걸이대에 간편하게 장비되어 롤 화장지를 사용자가 필요한 길이로 감아 절취한 상태에서 측면 이탈 시에 구김이나 찢김 없이 용이한 인출이 제공되어 편리성이 보장되는 롤 화장지 인출장치를 제공하는 것을 목적으로 하고 있다. 본 고안의 상기 목적은 벽체에 설치되는 케이스의 내부 상측에 구비된 롤축에 중심지관으로 끼움 된 롤 화장지를 케이스의 하부로 인출하여 ‘ㄷ’자형 회전날개에 의해 소정 길이로 감고, 상기 회전날개에 감겨진 화장지를 측면으로 빼내 사용하도록 롤 화장지의 인출장치에 있어서, 상기 ‘ㄷ’자형 회전날개의 내측에 다른 ‘ㄷ’자형의 지지날개를 구비하여 상호 간이 교차 상태로 하여 각각의 회전날개와 지지날개의 외주에 롤 화장지를 소정 길이로 권취한 후 절취하고, 상기 지지날개의 역 회전에 의해 롤 화장지의 감김상태를 느슨하게 한 상태에서 측면으로 빼어 사용할 수 있도록 구성한 것을 특징으로 하는 롤 화장지 인출장치에 의해 달성된다..

  该设想旨在提供一种方便使用者将卷纸卫生纸卷取到所需长度并剪断后，当侧面脱落时能够轻松取出而无褶皱或撕裂的卷纸卫生纸取出装置，以确保便利性。该设想的上述目的通过提供一种卷纸卫生纸取出装置实现，该装置包括在安装在墙体上的盒体内部上侧配备的卷芯，通过将装有卷纸卫生纸的卷芯插入盒体底部以提取，并通过“ㄷ”字形旋转翼片将其卷成适当长度，然后从侧面取出使用的卷纸卫生纸取出装置，其中，在卷纸卫生纸取出装置中，通过在“ㄷ”字形旋转翼片的内侧配备另一个“ㄷ”字形支撑翼片，使其相互交叉状态，然后在每个旋转翼片和支撑翼片的外周上将卷纸卫生纸卷取到适当长度后剪断，并通过支撑翼片的反向旋转使卷纸卫生纸的卷曲状态变松，从而使其能够从侧面取出并使用。
• Novel piperidine and piperazine derivatives
  申请人：——

  公开号：US20030013721A1

  公开（公告）日：2003-01-16

  The invention provides piperidine and piperazine derivatives of general formula (I), processes for their preparation, pharmaceutical compositions containing them, a process for preparing the pharmaceutical compositions, and their use in therapy 1

  这项发明提供了一般式(I)的吡啶和哌嗪衍生物，其制备方法，含有它们的药物组合物，制备药物组合物的方法，以及它们在治疗中的用途。
• Pyrazole compounds as CCR1 antagonists
  申请人：Boehringer Ingelheim International GmbH

  公开号：US08293917B2

  公开（公告）日：2012-10-23

  Disclosed are compounds of the formula (I) which block the interaction of CCR1 and its ligands and are thus useful for treating a variety of diseases and disorders that are mediated or sustained through the activity of CCR1 including autoimmune diseases, such as rheumatoid arthritis and multiple sclerosis. Also disclosed are pharmaceutical compositions comprising these compounds, methods of using these compounds in the treatment of various diseases and disorders, processes for preparing these compounds and intermediates useful in these processes.

  公开了式(I)的化合物，它们可以阻止CCR1与其配体的相互作用，因此可用于治疗通过CCR1的活性介导或维持的多种疾病和障碍，包括自身免疫性疾病，如类风湿性关节炎和多发性硬化症。还公开了包含这些化合物的制药组合物，使用这些化合物治疗各种疾病和障碍的方法，制备这些化合物的过程以及在这些过程中有用的中间体。
• Pyrazole Compounds As CCR1 Antagonists
  申请人：Cook Brian Nicholas

  公开号：US20110230521A1

  公开（公告）日：2011-09-22

  Disclosed are compounds of the formula (I) which block the interaction of CCR1 and its ligands and are thus useful for treating a variety of diseases and disorders that are mediated or sustained through the activity of CCR1 including autoimmune diseases, such as rheumatoid arthritis and multiple sclerosis. Also disclosed are pharmaceutical compositions comprising these compounds, methods of using these compounds in the treatment of various diseases and disorders, processes for preparing these compounds and intermediates useful in these processes.

  公开了式(I)的化合物，其可以阻止CCR1及其配体之间的相互作用，因此可用于治疗多种由CCR1的活性介导或维持的疾病和障碍，包括自身免疫性疾病，如类风湿性关节炎和多发性硬化症。还公开了包含这些化合物的制药组合物，使用这些化合物治疗各种疾病和障碍的方法，制备这些化合物的过程以及在这些过程中有用的中间体。
• Amide compounds and medicinal use thereof
  申请人：Mitsubishi Pharma Corporation

  公开号：US07015218B1

  公开（公告）日：2006-03-21

  The present invention relates to a compound of the formula wherein R1 is substituted aryl, heteroaryl and the like, R2 and R3 are hydrogen, alkyl, halogen, hydroxyl group and the like, Q is N, CH and the like, W is hydrogen, alkyl, hydroxycarbonylalkyl and the like, X is halogen, cyano, nitro, amino and the like, X′ is hydrogen, halogen, cyano, nitro, and Y is alkyl, hydroxyl group, alkoxy, mercapto and the like and a salt thereof, and a medicine containing the said compound. The compound of the present invention shows a superior inhibitory effect on activated lymphocytes proliferation and is useful as an agent for the prophylaxis or treatment of various autoimmune diseases.

  本发明涉及一种化合物，其化学式为其中R1为取代芳基，杂环芳基等，R2和R3为氢，烷基，卤素，羟基等，Q为N，CH等，W为氢，烷基，羟基羧基烷基等，X为卤素，氰基，硝基，氨基等，X'为氢，卤素，氰基，硝基，Y为烷基，羟基，烷氧基，巯基等及其盐，以及包含所述化合物的药物。本发明的化合物显示出对活化淋巴细胞增殖的优越抑制作用，并可用作各种自身免疫性疾病的预防或治疗剂。