2-氟-4-碘硝基苯 | 2996-31-8

• 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: 2-氟-4-碘硝基苯
• 中文别名: 2-氟-4-碘-1-硝基苯；3-氟-4-硝基碘苯
• 英文名称: 2-fluoro-4-iodo-1-nitrobenzene
• CAS: 2996-31-8
• 化学式: C₆H₃FINO₂
• 分子量: 266.998
• InChiKey: UVJQZMONVWFIHE-UHFFFAOYSA-N

物化性质

• 熔点：
  118-119℃
• 沸点：
  296℃
• 密度：
  2.093
• 闪点：
  133℃

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Fluoro-4-iodo-1-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: 2-Fluoro-4-iodo-1-nitrobenzene
CAS number: 2996-31-8

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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: C6H3FINO2
Molecular weight: 267.0

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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 fluoride, hydrogen Iodide.

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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：

  2-氟-4-碘硝基苯 生成 1-氟-9H-芴-9-酮
  参考文献：
  名称：

  Derivatives of Fluorene. X. Fluorofluorenes. III¹

  摘要：

  DOI：

  10.1021/jo01078a015
• 作为产物：
  描述：

  3-氟-4-硝基苯胺 在 对甲苯磺酸 、 potassium iodide 、 sodium nitrite 作用下， 以 水 、 乙腈 为溶剂， 反应 2.83h， 生成 2-氟-4-碘硝基苯
  参考文献：
  名称：

  通过钯（0）催化芳基碘化物与酰基重氮乙酸酯的脱酰基交叉偶联反应合成芳重氮乙酸酯

  摘要：

  钯（0）催化的芳基碘化物和酰基重氮羰基化合物的脱酰基交叉偶联可在室温下在温和的反应条件下实现。偶联反应代表了合成芳基重氮羰基化合物的一种高效且通用的方法，该方法作为生成供体/受体取代的金属碳烯的前体已得到越来越广泛的应用。

  DOI：

  10.1002/anie.201407653

文献信息

• [EN] BENZOSULFONYL COMPOUNDS<br/>[FR] COMPOSÉS DE BENZOSULFONYLE
  申请人：VIVACE THERAPEUTICS INC

  公开号：WO2019040380A1

  公开（公告）日：2019-02-28

  Provided herein are compounds and pharmaceutical compositions comprising said compounds that are useful for treating cancers. Specific cancers include those that are mediated by YAP/TAZ or those that are modulated by the interaction between YAP/TAZ and TEAD.

  本文提供了包含所述化合物的用于治疗癌症的药物组合物。具体的癌症包括那些由YAP/TAZ介导或由YAP/TAZ与TEAD相互作用调节的癌症。
• Pd(<scp>ii</scp>)-Catalyzed arylation of unactivated methylene C(sp³)–H bonds with aryl halides using a removable auxiliary
  作者：Qi Zhang、Xue-Song Yin、Sheng Zhao、Sheng-Long Fang、Bing-Feng Shi

  DOI：10.1039/c4cc03615h

  日期：——

  Pd(ii)-catalyzed arylation of methylene C(sp³)–H bonds with ArBr directed by our newly developed PIP auxiliary was reported.

  Pd（ii）催化的甲基C（sp3）-H键芳基化反应，由我们新开发的PIP辅助引导。
• [EN] COLONY STIMULATING FACTOR-1 RECEPTOR (CSF-1R) INHIBITORS<br/>[FR] INHIBITEURS DU RÉCEPTEUR DE FACTEUR-1 DE STIMULATION DE COLONIES (CSF-1R)
  申请人：GENZYME CORP

  公开号：WO2017015267A1

  公开（公告）日：2017-01-26

  Compounds of the formulas I and XIII, which are useful as colony stimulating factor-1 receptor inhibitors ("CSF 1R inhibitors").

  I和XIII式化合物，可用作促细胞增殖因子-1受体抑制剂（"CSF 1R抑制剂"）。
• Stereoselective Synthesis of Chiral β-Fluoro α-Amino Acids via Pd(II)-Catalyzed Fluorination of Unactivated Methylene C(sp³)–H Bonds: Scope and Mechanistic Studies
  作者：Qi Zhang、Xue-Song Yin、Kai Chen、Shuo-Qing Zhang、Bing-Feng Shi

  DOI：10.1021/jacs.5b03989

  日期：2015.7.1

  direct C(sp(3))-H fluorination is attractive yet remains challenging. Here we describe the Pd(II)-catalyzed fluorination of unactivated methylene C(sp(3))-H bonds by an inner-sphere mechanism. This method allows the site- and diastereoselective fluorination of β-methylene C(sp(3))-H bonds of α-amino acid derivatives. A range of substrates containing both aliphatic and benzylic C(sp(3))-H bonds were compatible

  通过直接 C(sp(3))-H 氟化合成氟化复杂分子是有吸引力的，但仍然具有挑战性。在这里，我们通过内球机制描述了 Pd(II) 催化的未活化亚甲基 C(sp(3))-H 键的氟化。这种方法允许 α-氨基酸衍生物的 β-亚甲基 C(sp(3))-H 键的位点和非对映选择性氟化。包含脂肪族和苄基 C(sp(3))-H 键的一系列底物与该协议兼容，导致一系列 β-氟化 α-氨基酸。分离的钯环中间体的化学计量氟化在非常温和的反应条件下（室温，5-10 分钟）快速发生。初步机理研究的数据与高价中间体的直接 CF 还原消除一致。
• A general and practical palladium-catalyzed monoarylation of β-methyl C(sp³)–H of alanine
  作者：Kai Chen、Shuo-Qing Zhang、Jing-Wen Xu、Fang Hu、Bing-Feng Shi

  DOI：10.1039/c4cc06652a

  日期：——

  A palladium-catalyzed monoarylation of β-methyl C(sp3)–H of an alanine derivative with aryl iodides using an 8-aminoquinoline auxiliary is described. The reaction is highly efficient, scalable and compatible with a variety of functional groups with complete retention of chirality, providing a general and practical access to various β-aryl-α-amino acids. The synthetic potential of this protocol is further demonstrated in the sequential synthesis of diverse β-branched α-amino acids.

  本文报道了一种使用8-氨基喹啉辅助剂的钯催化单芳基化反应，该反应利用芳基碘对丙氨酸衍生物中的β-甲基C(sp3)-H进行单芳基化。该反应具有高度高效、可扩展性，并与多种官能团兼容，完全保留了手性，为各种β-芳基-α-氨基酸提供了通用且实用的合成途径。此外，通过顺序合成多种β-支链α-氨基酸，进一步展示了该合成方法的潜力。