氯乙酰基-脲 | 4791-21-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 中文名称: 氯乙酰基-脲
• 英文名称: (2-chloroacetyl)urea
• 英文别名: chloroacetylurea；N-Chloracetyl-harnstoff；Chloracetyl-harnstoff；N-carbamoyl-2-chloroacetamide
• CAS: 4791-21-3
• 化学式: C₃H₅ClN₂O₂
• mdl: MFCD01676735
• 分子量: 136.538
• InChiKey: UIXTUDLFNOIGRA-UHFFFAOYSA-N

物化性质

• 熔点：
  155-160 °C
• 密度：
  1.419±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  72.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2924210090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: (2-Chloro-acetyl)-urea
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: (2-Chloro-acetyl)-urea
CAS number: 4791-21-3

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels, refrigerated.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C3H5ClN2O2
Molecular weight: 136.5

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  氯乙酰基-脲 在 五氯化磷 作用下， 以 苯 为溶剂， 以68%的产率得到1-(trichlorophosphazo)-1,3,4,4-tetrachloro-2-aza-1,3-butadiene
  参考文献：
  名称：

  Dmitrichenko, M. Yu.; Rozinov, V. G.; Donskikh, V. I., Journal of general chemistry of the USSR, 1991, vol. 61, # 3.1., p. 583 - 596

  摘要：

  DOI：
• 作为产物：
  描述：

  氯乙酰异氰酸酯 在 氨 作用下， 以 苯 为溶剂， 生成 氯乙酰基-脲
  参考文献：
  名称：

  Derkach,G.I. et al., Journal of general chemistry of the USSR, 1966, vol. 36, p. 1942 - 1944

  摘要：

  DOI：

文献信息

• TREATMENT OF DISEASES BY EPIGENETIC REGULATION
  申请人：McLure Kevin G.

  公开号：US20130281399A1

  公开（公告）日：2013-10-24

  The present disclosure provides non-naturally occurring polyphenol compounds that inhibit the bromodomain and extra terminal domain (BET) proteins. The disclosed compositions and methods can be used for treatment and prevention of diseases or disorders that are susceptible to administration of a BET inhibitor.

  本公开提供了抑制溴结构域和额外末端结构域（BET）蛋白的非天然存在的多酚化合物。所公开的组合物和方法可用于治疗和预防对BET抑制剂易感的疾病或疾病。
• Anti-inflammatory agents
  申请人：Hansen Henrik C.

  公开号：US09238640B2

  公开（公告）日：2016-01-19

  Disclosed are novel compounds that are useful in regulating the expression of interleukin-6 (IL-6) and/or vascular cell adhesion molecule-1 (VCAM-1), and their use in the treatment and/or prevention of cardiovascular and inflammatory diseases and related disease states, such as, for example, atherosclerosis, asthma, arthritis, cancer, multiple sclerosis, psoriasis, and inflammatory bowel diseases, and autoimmune disease(s). Also, disclosed are compositions comprising the novel compounds, as well as methods for their preparation.

  揭示了一种新型化合物，可用于调节白细胞介素-6（IL-6）和/或血管细胞粘附分子-1（VCAM-1）的表达，并且它们在治疗和/或预防心血管和炎症性疾病以及相关疾病状态中的用途，例如动脉粥样硬化、哮喘、关节炎、癌症、多发性硬化、牛皮癣和炎症性肠病以及自身免疫疾病。此外，还揭示了包含这些新型化合物的组合物，以及它们的制备方法。
• [EN] 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN<br/>[FR] SAXITOXINES 11,13-MODIFIÉES DESTINÉES AU TRAITEMENT DE LA DOULEUR
  申请人：SITEONE THERAPEUTICS INC

  公开号：WO2018183781A1

  公开（公告）日：2018-10-04

  Provided herein are compounds, pharmaceutical compositions comprising the compounds, methods of preparing the compounds, and methods of using the compounds and compositions in treating conditions associated with voltage-gated sodium channel function where the compounds are 11,13-modified saxitoxins according to Formula (I): where R4, R4a, R7, R7a, and X2 are as described herein.

  提供的是化合物、包含该化合物的药物组合物、制备该化合物的方法，以及使用该化合物和组合物治疗与电压门控钠通道功能相关的病症的方法，其中所述化合物是根据公式(I)的11,13-修饰的石房蛤毒素：其中R4、R4a、R7、R7a和X2如本文所述。
• Novel Peptidomimetics of the Antifungal Cyclic Peptide Rhodopeptin:  Synthesis of Mimetics and Their Antifungal Activity
  作者：Haruko C. Kawato、Kiyoshi Nakayama、Hiroaki Inagaki、Toshiharu Ohta

  DOI：10.1021/ol016394w

  日期：2001.11.1

  [reaction: see text]. Novel peptidomimetics of the antifungal cyclic peptide Rhodopeptin were synthesized. As with the cyclic peptides, the presence of all three Rhodopeptin side chains was found to be indispensable for peptidomimetic activity. We discovered new compounds exhibiting greater antifungal activity and improved physiochemical properties in comparison to the parent compounds.

  [反应：请参见文字]。合成了新型的抗真菌环肽Rhodopeptin拟肽。与环状肽一样，发现所有三个杜鹃肽侧链的存在对于拟肽活性都是必不可少的。我们发现与母体化合物相比，新化合物表现出更大的抗真菌活性和改善的理化特性。
• Synthese einiger Methylimino-diessigsäurederivate
  作者：M. Viscontini、J. Bally、J. Meier

  DOI：10.1002/hlca.19520350206

  日期：1952.2.1

  Es wurde eine Methode zur Herstellung von Methylimino-diessigsäure-diäthylester-chlormethylat ausgearbeitet, das sich mit Aminoverbindungen zu einer Reihe neuer Derivate der Methylimino-diessigsäure umsetzen lässt.

  甲基丙烯酸亚氨基二乙酯-二甲基酯-二甲基酯-氯甲基在美国，美国，美国，美国和美国的衍生产品。

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