4-氟-5-甲氧基-2-硝基苯胺 | 125163-12-4

• 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-氟-5-甲氧基-2-硝基苯胺
• 英文名称: 4-fluoro-5-methoxy-2-nitroaniline
• CAS: 125163-12-4
• 化学式: C₇H₇FN₂O₃
• mdl: MFCD00247494
• 分子量: 186.143
• InChiKey: FRMLKSWJWIKLPO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  81.1
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2922299090
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H312,H315,H319,H332,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Fluoro-5-methoxy-2-nitroaniline
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-Fluoro-5-methoxy-2-nitroaniline
CAS number: 125163-12-4

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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: C7H7FN2O3
Molecular weight: 186.1

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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.

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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-氟-5-甲氧基-2-硝基苯胺 在 hydrazine hydrate 作用下， 以 乙醇 为溶剂， 生成 5-fluoro-6-methoxy-1H-benzimidazole
  参考文献：
  名称：

  5,6-二取代的苯并咪唑核糖核苷和2'-脱氧核糖核苷的化学酶法合成及生物学评价

  摘要：

  摘要 已经制备了许多新的5，6-二取代的苯并咪唑，并研究了它们在转糖基化反应中对重组大肠杆菌嘌呤核苷磷酸化酶（PNP；deoD基因的产物）的底物性质。杂环碱基对PNP具有良好的底物活性，并合成了核糖和2'-脱氧核糖核苷。观察到5-取代的6-氟-1-（-1- d-核呋喃呋喃糖基）苯并咪唑的主要（OMe和OEt）或排他的（O i -Pr，吗啉代和N-甲基哌嗪子）形成。区域异构体6-甲氧基，6-乙氧基或6-异丙氧基取代的1-（2-脱氧-β- d的形成在相应碱基的反式-2-脱氧核糖基化反应中观察到-（呋喃核糖基）-5-氟苯并咪唑。具有6-氟苯并咪唑的大体积5-取代基的区域异构N 1-核苷的主要或排他性指向可容纳这些基团的大肠杆菌PNP活性位点中的大疏水口袋。对合成核苷的生物学活性进行了研究，发现对多种DNA和RNA病毒没有抑制活性。该化合物也缺乏明显的细胞毒性。 已经制备了许多新的5，6-二取代的

  DOI：

  10.1055/s-0032-1317782
• 作为产物：
  描述：

  3’,4’-二氟乙酰苯胺 在 盐酸 、 硫酸 、 硝酸 、 sodium 作用下， 以 乙醇 为溶剂， 反应 6.0h， 生成 4-氟-5-甲氧基-2-硝基苯胺
  参考文献：
  名称：

  质子泵抑制剂的研究。I. 8-[（2-苯并咪唑基）亚磺酰基] -5,6,7,8-四氢喹啉和相关化合物的合成。

  摘要：

  合成了许多8-[（2-苯并咪唑基）亚磺酰基] -5,6,7,8-四氢喹啉，并检查了它们的（H + + K +）腺苷三磷酸酶ATPase抑制和分泌活性。这些亚磺酰基化合物可以被认为是2-[（（2-吡啶基）甲基亚磺酰基]苯并咪唑类抗分泌剂的刚性类似物。所有测试的化合物均为（H + + K +）ATPase的有效抑制剂。大多数化合物还抑制组胺诱导的大鼠胃酸分泌。其中，发现8-[（5-氟-2-苯并咪唑基）亚磺酰基] -3-甲基-5,6,7,8-四氢喹啉（XIVm）具有最强的活性。讨论了构效关系。

  DOI：

  10.1248/cpb.37.1517

文献信息

• HEPATITIS C VIRUS INHIBITORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20150376233A1

  公开（公告）日：2015-12-31

  Hepatitis C virus inhibitors having the general formula (I) are disclosed. Compositions comprising the compounds and methods for using the compounds to inhibit HCV are also disclosed.

  揭示了具有一般式（I）的丙型肝炎病毒抑制剂。还公开了包含这些化合物的组合物和使用这些化合物抑制HCV的方法。
• Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof
  申请人：MAILLIET Patrick

  公开号：US20080153837A1

  公开（公告）日：2008-06-26

  This invention relates to derivatives of 4-(benzimidazol-2-yl)fluorene and 4-(azabenzimidazol-2-yl)fluorene, to pharmaceutical compositions comprising such derivatives, and to methods of treatment of disorders related to Hsp90 protein activity, comprising administering such derivatives.

  这项发明涉及4-(苯并咪唑-2-基)芴和4-(氮杂苯并咪唑-2-基)芴的衍生物，涉及包含这些衍生物的药物组合物，以及涉及治疗与Hsp90蛋白活性相关的疾病的方法，包括给予这些衍生物。
• [EN] HSD17B13 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE HSD17B13 ET LEURS UTILISATIONS
  申请人：METACRINE INC

  公开号：WO2022072491A1

  公开（公告）日：2022-04-07

  Described herein are compounds that are HSD17B13 inhibitors, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds in the treatment of conditions, diseases, or disorders associated with HSD17B13 activity.

  本文描述了一些HSD17B13抑制剂化合物，制备这些化合物的方法，包括这些化合物的药物组合物和药物，以及使用这些化合物治疗与HSD17B13活性相关的病症、疾病或障碍的方法。
• Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents
  申请人：Sabatucci Peter Joseph

  公开号：US20060160815A1

  公开（公告）日：2006-07-20

  This invention provides estrogen receptor modulators having the structure: wherein R 1 to R 7 , R 9 and R 10 X, Y, and Z are as defined in the specification; or a pharmaceutically acceptable salt thereof.

  该发明提供了具有以下结构的雌激素受体调节剂： 其中R1至R7、R9和R10、X、Y和Z如规范中所定义；或其药学上可接受的盐。
• NOVEL NUCLEOSIDE PHOSPHORAMIDATE COMPOUND AND USE THEREOF
  申请人：NANJING SANHOME PHARMACEUTICAL CO., LTD

  公开号：US20150361123A1

  公开（公告）日：2015-12-17

  A novel nucleoside phosphoramidate compound, or a stereoisomer, salt, hydrate, solvate or crystal thereof for the treatment of Flaviviridae family viral infection, especially hepatitis C viral infection is provided. The pharmaceutical composition having the compound, or a stereoisomer, salt, hydrate, solvate or crystal thereof and a use of the compound or the composition in the treatment of Flaviviridae family viral infection, especially hepatitis C viral infection. The compound has a good anti-HCV effect.

  本发明提供了一种新型核苷酸磷酰胺化合物，或其立体异构体、盐、水合物、溶剂合物或晶体，用于治疗黄病毒科病毒感染，特别是丙型肝炎病毒感染。该药物组合物包括该化合物、或其立体异构体、盐、水合物、溶剂合物或晶体，以及该化合物或该组合物在治疗黄病毒科病毒感染，特别是丙型肝炎病毒感染方面的用途。该化合物具有良好的抗 HCV 效果。