(4-氯-3-甲基苯氧基)-乙酸肼 | 72293-68-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: (4-氯-3-甲基苯氧基)-乙酸肼
• 英文名称: 4-Chloro-3-methylphenoxyacetylhydrazine
• 英文别名: 2-(4-chloro-3-methylphenoxy)acetohydrazide；(4-chloro-3-methyl-phenoxy)-acetic acid hydrazide
• CAS: 72293-68-6
• 化学式: C₉H₁₁ClN₂O₂
• mdl: MFCD00705189
• 分子量: 214.652
• InChiKey: DLFJAQDMJDJPKW-UHFFFAOYSA-N

物化性质

• 熔点：
  160-161 °C(Solv: methanol (67-56-1))
• 沸点：
  435.9±35.0 °C(Predicted)
• 密度：
  1.279±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2928000090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-(4-Chloro-3-methylphenoxy)acetohydrazide
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-(4-Chloro-3-methylphenoxy)acetohydrazide
CAS number: 72293-68-6

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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: C9H11ClN2O2
Molecular weight: 214.6

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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：

  (4-氯-3-甲基苯氧基)-乙酸肼 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 5-(4-chloro-3-methylphenoxy)methyl-3-(2-chlorophenyl)aminomethyl-1,3,4-oxadiazole-2-thione
  参考文献：
  名称：

  Holla, B. Shivarama; Kalluraya, Balakrishna; Nath, S. C., Journal fur praktische Chemie (Leipzig 1954), 1988, vol. 330, # 4, p. 549 - 557

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氯-3-甲基苯酚 在 potassium carbonate 、 一水合肼 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 9.0h， 生成 (4-氯-3-甲基苯氧基)-乙酸肼
  参考文献：
  名称：

  7-甲基-2-（苯氧甲基）-5 H- [1,3,4]噻二唑[3,2 - a ]嘧啶-5-酮衍生物的合成及黄嘌呤氧化酶抑制活性

  摘要：

  血尿酸水平升高（高尿酸血症）是痛风的根本原因。黄嘌呤氧化酶是催化次黄嘌呤氧化为黄嘌呤然后变为尿酸的关键酶。别嘌醇是一种广泛使用的黄嘌呤氧化酶抑制剂，是治疗痛风的最常用药物。但是，一小部分人却遭受别嘌醇的不良影响，包括胃肠道不适，皮疹和超敏反应。此外，尿酸水平升高被认为是心血管疾病的独立危险因素。因此，使用副作用最小的类别嘌呤醇类药物是对抗痛风的理想药物选择。在这项研究中，我们报告了一系列有效的嘧啶5一类似物和一类新的黄嘌呤氧化酶抑制剂的合成。所有合成的嘧啶-5-酮类似物均通过光谱技术和元素分析进行​​表征。四（在该类别的20个合成分子中，图6a，6b，6d和6f）显示出对三种不同的黄嘌呤氧化酶的良好抑制作用，基于它们各自的IC 50值，它们比别嘌呤醇更有效。分子建模和对接研究表明，分子6a与黄嘌呤氧化酶的关键成分钼－氧－硫（MOS）复合物具有很好的相互作用。这些结果突出了鉴定出一种新型的黄

  DOI：

  10.1016/j.bmc.2010.11.034

文献信息

• Synthesis and biological evaluation of novel aryloxyacetic acid hydrazide derivatives as anticancer agents
  作者：Sevil Şenkardeş、Ömer Erdoğan、Özge Çevik、Ş. Güniz Küçükgüzel

  DOI：10.1080/00397911.2021.1945105

  日期：2021.9.2

  Abstract In our continuing search for new anticancer agents, herein we report the synthesis of 2-(4-chloro-3-methylphenoxy)-N'-[(aryl)methylidene]acetohydrazides 3a–j and the evaluation of their anticancer activities on cell viability, morphological changes and caspase-3 activity in cancer cell lines including gastric cancer (MKN45), cervical cancer (HeLa) and breast cancer (MDA-MB-231) cells. 2-(

  摘要 在我们继续寻找新的抗癌剂的过程中，我们报告了 2-(4-chloro-3-methylphenoxy) -N '-[(芳基)亚甲基]乙酰肼3a-j的合成及其对细胞活力的抗癌活性的评估、癌细胞系包括胃癌 (MKN45)、宫颈癌 (HeLa) 和乳腺癌 (MDA-MB-231) 细胞的形态学变化和 caspase-3 活性。2-(4-chloro-3-methylphenoxy) -N '-[(4-phenylthiophen-2-yl)methylidene] acetohydrazide 3g对 MKN45 胃癌细胞系的生长抑制作用最强，IC 50值为 1.471 ± 0.23 μM . 此外，化合物3b和3g对 HeLa 和 MDA-MB-231 细胞系显示出高效力，IC 50范围为 2.38-9.72 μM。这些化合物对测试的人类癌细胞比对小鼠成纤维细胞系 (NIH/3T3) 更
• Chande, Madhukar S.; Singh-Jathar, Kiron, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1998, vol. 37, # 4, p. 352 - 357
  作者：Chande, Madhukar S.、Singh-Jathar, Kiron

  DOI：——

  日期：——
• Sharma; Pathak; Bahel, Journal of the Indian Chemical Society, 1985, vol. 62, # 8, p. 625 - 627
  作者：Sharma、Pathak、Bahel

  DOI：——

  日期：——
• Ramalingam, T.; Sattur, P. B., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1987, vol. 26, # 1-12, p. 1204 - 1207
  作者：Ramalingam, T.、Sattur, P. B.

  DOI：——

  日期：——
• Holla, B. Shivarama; Kalluraya, Balakrishna, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1988, vol. 27, # 1-12, p. 683 - 685
  作者：Holla, B. Shivarama、Kalluraya, Balakrishna

  DOI：——

  日期：——