1-(氯-二氟-甲氧基)-4-硝基苯 | 40750-71-8

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 烃类硝化物
• 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: 1-(氯-二氟-甲氧基)-4-硝基苯
• 中文别名: 1-氯-1,1-二氟甲氧基-4-硝基苯
• 英文名称: 1-(chlorodifluoromethoxy)-4-nitrobenzene
• 英文别名: 4-nitro-chlorodifluoromethoxybenzene；4-Nitro-difluormethyl-phenylether；4-difluorochloromethoxy-nitrobenzene；1-[Chloro(difluoro)methoxy]-4-nitrobenzene
• CAS: 40750-71-8
• 化学式: C₇H₄ClF₂NO₃
• mdl: MFCD01820808
• 分子量: 223.563
• InChiKey: WPALJCCMLCPKMZ-UHFFFAOYSA-N

物化性质

• 沸点：
  265.2±40.0 °C(Predicted)
• 密度：
  1.514±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  14
• 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：
  55
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R20/21/22
• 海关编码：
  2909309090
• 安全说明：
  S26,S36/37/39

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-(Chlorodifluoromethoxy)-4-nitrobenzene
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: 1-(Chlorodifluoromethoxy)-4-nitrobenzene
CAS number: 40750-71-8

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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, 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: C7H4ClF2NO3
Molecular weight: 223.6

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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, 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：

  1-(氯-二氟-甲氧基)-4-硝基苯 在 sodium tetrahydroborate 、 TPGS-750-M 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 0.5h， 以91%的产率得到4-氯二氟甲氧基苯胺
  参考文献：
  名称：

  掺有ppm级（Pd + Ni）的Fe纳米颗粒中的协同效应。可持续还原硝基的新催化剂

  摘要：

  在铁纳米颗粒中嵌入的Pd和Ni的ppm水平之间发现了显着的协同作用，这导致室温下水中的含硝基芳族化合物和杂芳族化合物温和选择性催化还原。NaBH 4用作廉价氢化物的来源。记录了广泛的基材范围以及其他一些功能，包括：催化剂用量低，产品中残留金属少，催化剂和反应介质的循环利用，凸显了这项新技术的绿色本质。

  DOI：

  10.1039/c7gc02991h
• 作为产物：
  描述：

  对硝基苯基硫代氯甲酸酯 在 三氟化溴 作用下， 以 一氟三氯甲烷 为溶剂， 以80%的产率得到1-(氯-二氟-甲氧基)-4-硝基苯
  参考文献：
  名称：

  使用 BrF3 制备烷基和芳基氯二氟甲基醚

  摘要：

  烷基和芳基氯硫代甲酸酯可以很容易地从相应的醇和硫光气中获得。这些化合物家族用 BrF3 处理形成相应的烷基和芳基氯二氟甲基醚，产率 60-85%。该方法适用于构建多种脂肪族和缺电子芳香族氯二氟甲基醚。反应在温和的条件和短的反应时间下进行。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)

  DOI：

  10.1002/ejoc.200800231

文献信息

• 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。
• Verfahren zur Herstellung von aromatischen Verbindungen, die über ein Heteroatom gebundene perfluorierte Seitenketten enthalten
  申请人：BAYER AG

  公开号：EP0124002A1

  公开（公告）日：1984-11-07

  Aromatische Verbindungen, die über ein Heteroatom gebundene perfluorierte Seitenketten enthalten, werden hergestellt, indem man aromatische Verbindungen, die über ein Heteroatom gebundene perhalogenierte, aber nur partiell fluorierte Seitenketten enthalten, mit einem zur Übertragung von Halogenatomen befähigten Katalysator behandelt.

  含有通过杂原子键合的全氟侧链的芳香族化合物的制备方法是：将含有通过杂原子键合的全卤化但仅部分氟化侧链的芳香族化合物与能够转移卤素原子的催化剂进行处理。
• ——
  作者：V. P. Kislyi、L. N. Tolkacheva、V. V. Semenov

  DOI：10.1023/a:1015586205191

  日期：——

  Nitroheterocyclic compounds were reduced in a classical reactor with an agitator equipped with a cell for fixed bed of catalyst. As catalysts were applied granular palladium catalysts (0.5% of Pd on gamma-Al2O3 and 2% of Pd on granulated carbon). Anilines and 3-amino-2(1H)-pyridones were obtained in high yield at reduction of the appropriate nitro compounds, and the activity of the catalyst samples only slightly decreased. Yet aminopyrazoles and aminoimidazoles obtained by hydrogenation on palladium were very sensitive to the presence of air even as hydrochlorides. In the course of hydrogenation of nitropyrazoles and nitroimidazoles the activity of the catalyst markedly decreased.
• FEIRING A. E., J. ORG. CHEM., 1979, 44, NO 16, 2907-2910
  作者：FEIRING A. E.

  DOI：——

  日期：——
• US4600787A
  申请人：——

  公开号：US4600787A

  公开（公告）日：1986-07-15