(氯二氟甲氧基)苯 | 770-11-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: (氯二氟甲氧基)苯
• 中文别名: 二氟一氯甲氧基苯
• 英文名称: difluorochloromethoxybenzene
• 英文别名: α-chloro-α,α-difluoroanisole；2-difluorochlorotrifluoromethoxybenzene；(chlorodifluoromethoxy)benzene；chloro-difluoromethoxybenzene；chlorodifluoromethoxybenzene；(chloro-difluoro-methyl)-phenyl ether；[chloro(difluoro)methoxy]benzene
• CAS: 770-11-6
• 化学式: C₇H₅ClF₂O
• mdl: MFCD03412214
• 分子量: 178.566
• InChiKey: UCFJMYVFTUOACF-UHFFFAOYSA-N

物化性质

• 沸点：
  71 °C(Press: 58 Torr)
• 密度：
  1.2748 g/cm3(Temp: 18 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2909309090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: (Chlorodifluoromethoxy)benzene
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: (Chlorodifluoromethoxy)benzene
CAS number: 770-11-6

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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.
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: C7H5ClF2O
Molecular weight: 178.6

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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, 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：

  (氯二氟甲氧基)苯 在 盐酸 、 magnesium 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 2,2-Difluoro-1-(furan-2-yl)-2-phenoxyethanol
  参考文献：
  名称：

  Preparation of (Phenyldifluoromethyl)- and (Phenoxydifluoromethyl)-silanes by Magnesium-Promoted Carbon-Chlorine Bond Activation

  摘要：

  在 DMF 中，在镁的存在下，用三甲基氯硅烷处理δ-氯δ,δ-二氟甲苯和δ-氯δ,δ-二氟苯甲醚，可得到相应的三甲基硅烷衍生物。这些化合物能够将其氟化基转移到各种亲电基质（羰基化合物、二硫化物、苯基异氰酸酯）上。

  DOI：

  10.1055/s-2004-829533
• 作为产物：
  描述：

  二氟甲氧基苯 在 potassium chloride 作用下， 以 间二三氟甲苯 为溶剂， 生成 (氯二氟甲氧基)苯
  参考文献：
  名称：

  Process for the .alpha.-chlorination of aryl ethers

  摘要：

  芳基醚在α位通过一种过程被氯化，该过程中它们与氯同时加入反应容器，并在60℃至150℃的温度范围内进行反应。

  公开号：

  US05440051A1

文献信息

• Process for generating electrophiles from anions by reaction with electrophilic fluorinating agent
  申请人：AIR PRODUCTS AND CHEMICALS, INC.

  公开号：EP1138657A1

  公开（公告）日：2001-10-04

  A process includes substituting a substituent on a substrate. The process includes reacting a salt of an anionic form of the substituent with an electrophilic fluorination agent to provide an electrophile containing a cationic form of the substituent. The electrophile is then electrophilically substituted on the substrate. In some aspects of the process, the substrate can be an aromatic or a non-aromatic. The process can be used for a variety of reactions having electrophilic mechanisms, including halogenation, thiocyanation and nitration.

  一个过程包括在底物上替换一个取代基。该过程包括将取代基的阴离子形式的盐与亲电氟化剂反应，以提供含有取代基阳离子形式的亲电体。然后，将亲电体在底物上进行亲电取代。在该过程的某些方面，底物可以是芳香族或非芳香族。该过程可用于具有亲电机制的各种反应，包括卤代反应、硫氰化反应和硝化反应。
• Process for the .alpha.-chlorination of aryl ethers
  申请人：Bayer Aktiengesellschaft

  公开号：US05440051A1

  公开（公告）日：1995-08-08

  Aryl ethers are chlorinated in the .alpha.-position by a process in which they are metered into a reaction vessel at the same time as chlorine, the reaction being carried out at temperatures in the range from 60.degree. to 150.degree. C.

  芳基醚在α位通过一种过程被氯化，该过程中它们与氯同时加入反应容器，并在60℃至150℃的温度范围内进行反应。
• Reactions of (chlorodifluoromethyl)benzene and (chlorodifluoromethoxy)benzene with nucleophilic reagents
  作者：Jérôme Guidotti、Vincent Schanen、Marc Tordeux、Claude Wakselman

  DOI：10.1016/j.jfluchem.2004.10.001

  日期：2005.4

  Condensation reactions of (chlorodifluoromethyl)benzene and (chlorodifluoromethoxy)benzene with phenoxide and thiophenoxide ions have been performed in DMF or NMP with heating. In these conditions, the reaction between phenylselenide ion and (chlorodifluoromethyl)benzene did not occur. This latter reaction requires an additional visible light irradiation to proceed, as reported by Yoshida et al.

  （氯二氟甲基）苯和（氯二氟甲氧基）苯与酚盐和噻吩氧化物的缩合反应已经在DMF或N​​MP中加热进行。在这些条件下，没有发生苯硒化物离子与（氯二氟甲基）苯之间的反应。后一种反应需要额外的可见光照射才能进行，正如Yoshida等人报道的那样。
• 一种4-(一氯二氟甲氧基)苯胺的制备方法
  申请人：金凯（辽宁）化工有限公司

  公开号：CN104119238B

  公开（公告）日：2016-09-21

  本发明是以三氯甲氧基苯为原料，使用氟化氢进行选择性氟化得到一氯二氟甲氧基苯。一氯二氟甲氧基苯经混酸硝化，得到4‑(一氯二氟甲氧基)硝基苯，对其进行加氢还原，得到4‑(一氯二氟甲氧基)苯胺。4‑(一氯二氟甲氧基)苯胺是合成抑制肿瘤药物的中间体。
• Synthesis conditions and activity of various Lewis acids for the fluorination of trichloromethoxy-benzene by HF in liquid phase
  作者：J. Salomé、C. Mauger、S. Brunet、V. Schanen

  DOI：10.1016/j.jfluchem.2004.08.002

  日期：2004.12

  The experimental conditions (temperature, reaction time, amount of hydrogen fluoride (HF)) for the comparison of the performances of various Lewis acids in the liquid phase fluorination by HF of the trichloromethoxy-benzene were determined by using SbCl5 as the reference catalyst. After 1 h reaction at 50 °C, C6H5OCCl3 was totally converted into C6H5OCF3 requiring only 2 mol% of SbCl5 and a stoichiometric

  以SbCl 5为参比催化剂，确定了比较各种路易斯酸在三氯甲氧基苯的氟化氢液相氟化中的各种路易斯酸性能的实验条件（温度，反应时间，氟化氢（HF）的量）。在50°C下反应1小时后，C 6 H 5 OCCl 3完全转化为仅需2 mol％SbCl 5和化学计量的HF的C 6 H 5 OCF 3。被发现的最有效的催化剂待氯化的路易斯酸，其中所述金属是氧化+ V的状态（的SbCl 5，代替MoCl 5，TACL 5和NbCl 5）。合适的催化剂必须能够与HF形成亲核络合物，后者构成实际的氟化剂，并且比单独的HF更有效。