(4-氯苯基)(4-氟苯基)甲醇 | 2795-76-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (4-氯苯基)(4-氟苯基)甲醇
• 英文名称: (4-chlorophenyl)(4-fluorophenyl)methanol
• 英文别名: (4-chlorophenyl)-(4-fluorophenyl)methanol
• CAS: 2795-76-8
• 化学式: C₁₃H₁₀ClFO
• mdl: MFCD11097014
• 分子量: 236.673
• InChiKey: JCIWCQYNVZQYRV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.076
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2906299090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: (4-Chlorophenyl)(4-fluorophenyl)methanol
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: (4-Chlorophenyl)(4-fluorophenyl)methanol
CAS number: 2795-76-8

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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.
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: C13H10ClFO
Molecular weight: 236.7

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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, hydrogen chloride, hydrogen fluoride.

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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-氯苯基)(4-氟苯基)甲醇 在 氯化亚砜 作用下， 生成 (p-chlorophenyl)-(p-fluorophenyl)methyl chloride
  参考文献：
  名称：

  Gascoyne,J.M. et al., Journal of the Chemical Society. Perkin transactions II, 1977, p. 1051 - 1057

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氯-4-氟苯甲酮 在 aluminum isopropoxide 、 异丙醇 作用下， 生成 (4-氯苯基)(4-氟苯基)甲醇
  参考文献：
  名称：

  Eckstein et al., Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques, 1959, vol. 7, p. 803,805

  摘要：

  DOI：
• 作为试剂：
  描述：

  对溴氟苯 、 4-氯苯甲醛 、 3-trifluoromethyl-4-fluorodiphenylcarbinol 在 (4-氯苯基)(4-氟苯基)甲醇 作用下， 以7.14 g (88% of theory) of the title compound were obtained的产率得到(4-氯苯基)(4-氟苯基)甲醇
  参考文献：
  名称：

  SUBSTITUTED 7-SULFANYLMETHYL, 7-SULFINYLMETHYL AND 7-SULFONYLMETHYL INDOLES AND USE THEREOF

  摘要：

  本发明涉及一种新型的7-硫基甲基，7-亚磺酰基甲基和7-磺酰基甲基吲哚衍生物，其制备方法，其单独或与其他物质结合的用于治疗和/或预防疾病的用途，以及其用于制造用于治疗和/或预防疾病的药物，特别是用于治疗和/或预防心血管疾病的药物。

  公开号：

  US20110201564A1

文献信息

• 19F nuclear magnetic resonance studies of aromatic compounds. Part III. The transmission of substituent effects across bridged ring systems
  作者：I. R. Ager、L. Phillips、S. J. Roberts

  DOI：10.1039/p29720001988

  日期：——

  bridged dinuclear aromatic compounds of the type p-F·C6H4·Z·C6H4·X-p[Z = all-trans-·CHCH–CHCH·, CCH2, CH2, CH(OH), CMe(OH), –O–, or –S–; X = NH2, OMe, H, F, Cl, or NO2] is described. The 19F n.m.r. spectra of these compounds are used to examine the ‘transmission’ of electronic effects, due to the group X, across the bridge Z. A distinction is drawn between ‘transmission effects’ in which electron density

  几个系列的类型的双核桥接的芳族化合物的合成中p -F·C 6 H ^ 4 ·Z·C 6 H ^ 4 ·X- p [Z =清一色反式- ·CH CH-CH CH·，C CH 2，CH 2，CH（OH），CMe（OH），– O–或–S–；描述了X ＝ NH 2，OMe，H，F，Cl或NO 2 ]。在19这些化合物的F nmr光谱用于检查由于基团X跨桥Z引起的电子效应的“透射”。在“透射效应”之间进行了区分，其中电子密度可以认为是从一个相互影响和“继电器效应”，其中可能没有电子密度的净转移。
• SUBSTITUTED 7-SULFANYLMETHYL-, 7-SULFINYLMETHYL- AND 7-SULFONYLMETHYLINDOLES AND THE USE THEREOF
  申请人：Kolkhof Peter

  公开号：US20100105744A1

  公开（公告）日：2010-04-29

  The present application relates to novel 7-sulfanylmethyl-, 7-sulfinylmethyl- and 7-sulfonylmethylindole derivatives, processes for the preparation thereof, the use thereof alone or in combinations for the treatment and/or prevention of diseases, and the use thereof for the manufacture of medicaments for the treatment and/or prevention of diseases, especially for the treatment and/or prevention of cardiovascular disorders.

  本申请涉及新颖的7-硫代甲基、7-亚砜基甲基和7-磺酰基甲基吲哚衍生物，其制备方法，单独或组合使用以治疗和/或预防疾病，以及用于制造用于治疗和/或预防疾病的药物，特别是用于治疗和/或预防心血管疾病。
• CuCl/Bipyridine-Catalyzed Addition Reactions of Arylboroxines with Aldehydes, α,β-Unsaturated Ketones, and <i>N</i>-Tosyl Aldimines
  作者：Yuan-Xi Liao、Qiao-Sheng Hu

  DOI：10.1021/jo201338v

  日期：2011.9.16

  CuCl/bipyridine-catalyzed addition reactions of arylboroxines with aldehydes and α,β-unsaturated ketones at elevated temperatures were described. By using the microwave energy, CuCl/bipyridine-catalyzed addition reactions of arylboroxines with aldimines were also realized.

  描述了CuCl /联吡啶催化芳基硼氧烷与醛和α，β-不饱和酮在高温下的加成反应。通过使用微波能量，还实现了CuCl /联吡啶催化的芳基硼氧烷与醛亚胺的加成反应。
• [Ir(COD)Cl]2/tris(2,4-di-t-butylphenyl)phosphite-catalyzed addition reactions of arylboronic acids with aldehydes
  作者：Yuan-Xi Liao、Jie Dong、Qiao-Sheng Hu

  DOI：10.1016/j.tetlet.2018.02.071

  日期：2018.4

  [Ir(COD)Cl]2/tris(2,4-di-t-butylphenyl)phosphite-catalyzed addition reactions of arylboronic acids with aldehydes were described. The Ir(I) catalyst, generated from [Ir(COD)Cl]2 and tris(2,4-di-t-butylphenyl)phosphite, was an efficient catalyst system for the addition reactions of a variety of arylboronic acids with aromatic and aliphatic aldehydes. The easy availability of the catalyst and good yields

  描述了[Ir(COD)Cl] 2 /三(2,4-二叔丁基苯基)亚磷酸酯催化的芳基硼酸与醛的加成反应。 Ir(I)催化剂由[Ir(COD)Cl] 2和三(2,4-二叔丁基苯基)亚磷酸酯生成，是一种有效的催化剂体系，适用于各种芳基硼酸与芳香族和芳香族化合物的加成反应。脂肪族醛。催化剂的容易获得和良好的产率使得这些反应在有机合成中具有潜在的用途。
• Microwave-assisted nickel(II) acetylacetonate-catalyzed arylation of aldehydes with arylboronic acids
  作者：Wen Chen、Mostafa Baghbanzadeh、C. Oliver Kappe

  DOI：10.1016/j.tetlet.2011.01.147

  日期：2011.4

  Applying sealed vessel microwave heating at 180 °C in toluene the arylation of aromatic and aliphatic aldehydes with arylboronic acids using 1–2 mol % of Ni(acac)2 as a catalyst can be performed efficiently within 10–30 min providing the desired diarylmethanols or benzyl alcohols in good yields.

  在甲苯中将密封容器微波加热到180°C，使用1-2 mol％的Ni（acac）2作为催化剂，芳烃和脂族醛与芳基硼酸的芳基化可以在10-30分钟内有效地进行，从而提供所需的二芳基甲醇或苯甲醇收率高。