4-氟-2-硝基-N-甲基苯胺 | 704-05-2

• 物质功能分类: 有机原料 - 氨基化合物
• 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: 4-氟-2-硝基-N-甲基苯胺
• 英文名称: 4-fluoro-N-methyl-2-nitroaniline
• 英文别名: 4-Fluoro-2-nitro-N-methylaniline
• CAS: 704-05-2
• 化学式: C₇H₇FN₂O₂
• mdl: MFCD00792440
• 分子量: 170.143
• InChiKey: QELGNVHWXQYICY-UHFFFAOYSA-N

物化性质

• 熔点：
  76 °C(Solv: hexane (110-54-3))
• 沸点：
  275.8±30.0 °C(Predicted)
• 密度：
  1.361±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 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：
  57.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2921430090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Fluoro-2-nitro-n-methylaniline
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-2-nitro-n-methylaniline
CAS number: 704-05-2

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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: C7H7FN2O2
Molecular weight: 170.1

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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-2-硝基-N-甲基苯胺 在 盐酸 、 铁粉 、 氯化铵 作用下， 以 乙醇 、 水 为溶剂， 生成 5-fluoro-1-methyl-1H-benzo[d]imidazole
  参考文献：
  名称：

  Cu催化苯并咪唑与艾伦的C-H烯丙基化

  摘要：

  已经描述了 CuH 催化的苯并咪唑与丙二烯的分子内环化和分子间烯丙基化。在Cu(OAc) 2 /Xantphos的催化体系和催化量的(MeO) 2 MeSiH的作用下，反应顺利进行。该协议具有温和的反应条件和对带有吸电子、给电子或电子中性基团的底物的良好耐受性。针对该氢化铜催化体系提出了一种新的催化机理。

  DOI：

  10.1021/acs.orglett.1c02346
• 作为产物：
  描述：

  4-氟-2-硝基苯胺 在 sodium hydroxide 、 苄基三乙基氯化铵 、 碳酸氢钠 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 生成 4-氟-2-硝基-N-甲基苯胺
  参考文献：
  名称：

  邻硝基三氟乙酰苯胺的“一锅”相转移烷基化/水解。N-ALKYLo-苯二胺的便捷途径

  摘要：

  摘要 多种邻硝基三氟乙酰苯胺经过一锅烷基化/水解，以 40-94% 的产率得到 N-烷基邻硝基苯胺。硫酸二甲酯、溴化苄和 1-溴丙烷用作亲电试剂。

  DOI：

  10.1080/00397919608003827

文献信息

• New betamimetics for the treatment of respiratory complaints
  申请人：Bouyssou Thierry

  公开号：US20060063817A1

  公开（公告）日：2006-03-23

  The present invention relates to compounds of formula 1 wherein the groups n, m, B, X and R 1 may have the meanings given in the claims and specification, processes for preparing them and their use as pharmaceutical compositions, particularly as pharmaceutical compositions for the treatment of respiratory complaints.

  本发明涉及公式1的化合物，其中n、m、B、X和R1的含义如权利要求和说明书中所给，以及它们的制备过程和作为药物组合物的用途，尤其是作为治疗呼吸系统疾病的药物组合物的用途。
• Medicament Combinations for the Treatment of Respiratory Diseases
  申请人：Konetzki Ingo

  公开号：US20070203125A1

  公开（公告）日：2007-08-30

  The present invention relates to new medicament combinations which contain in addition to one or more, preferably one compound of general formula 1 wherein A, B, R 1 , X, n and m may have the meanings given in the claims and in the specification, at least one other active substance 2, processes for preparing them and their use as pharmaceutical compositions.

  本发明涉及新的药物组合物，除了一个或多个，最好是1号通用公式中的一个化合物外，其中A、B、R1、X、n和m的含义如权利要求和说明书中所给，至少还包含另一种活性物质2，以及它们的制备方法和作为药物组合物的用途。
• [EN] 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME<br/>[FR] COMPOSÉS DÉRIVÉS DE 1,3,4-OXADIAZOLE UTILISÉS COMME INHIBITEURS D'HISTONE DÉSACÉTYLASE 6, ET COMPOSITION PHARMACEUTIQUE LES COMPRENANT
  申请人：CHONG KUN DANG PHARMACEUTICAL CORP

  公开号：WO2020240492A1

  公开（公告）日：2020-12-03

  The present invention relates to 1,3,4-oxadiazole derivative compounds having a histone deacetylase 6 (HDAC6) inhibitory activity, stereoisomers thereof or pharmaceutically acceptable salts thereof, a use thereof in preparation of a medicament, a pharmaceutical composition comprising the same, a therapeutic method using the composition, and a method for preparing the same, and the 1,3,4-oxadiazole derivative compounds are represented by a following chemical formula (I).

  本发明涉及具有组蛋白去乙酰化酶6（HDAC6）抑制活性的1,3,4-噁二唑衍生物化合物，其立体异构体或其药学上可接受的盐，以及其在药物制备中的用途，包括相同的药物组成、使用该组成的治疗方法，以及制备该组成的方法，其中1,3,4-噁二唑衍生物化合物由以下化学式（I）表示。
• Novel Enantiomeric Pure Beta Agonists, Manufacturing and Use as a Medicament Thereof
  申请人：RIES Uwe

  公开号：US20070249595A1

  公开（公告）日：2007-10-25

  The present invention relates to enantiomerically pure compounds of formula 1 wherein the groups m, n, B, X, R 1 , m and Y m- may have the meanings given in the claims and specification, methods for preparing them and their use as pharmaceutical compositions, particularly as pharmaceutical compositions for the treatment of respiratory complaints.

  本发明涉及公式1的对映纯化合物，其中组m、n、B、X、R1、m和Ym可能具有权利要求和说明书中给定的含义，以及制备它们的方法以及它们作为药物组合物的用途，特别是作为用于治疗呼吸系统疾病的药物组合物。
• HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES
  申请人：Pouzet Pascale

  公开号：US20100305102A1

  公开（公告）日：2010-12-02

  The invention relates to new dihydrothienopyrimidinesulphoxides of formula 1, as well as pharmacologically acceptable salts thereof, wherein X is SO or SO 2 , but preferably SO, and wherein R 3 denotes an optionally substituted, mono- or bicyclic, unsaturated, partially saturated or saturated heterocycle or an optionally substituted, mono- or bicyclic heteroaryl and wherein R 1 and R 2 have the meanings stated in claim 1, as well as pharmaceutical compositions which contain these compounds. These new dihydrothienopyrimidinesulphoxides are suitable for the treatment of respiratory or gastrointestinal complaints or diseases, inflammatory diseases of the joints, skin or eyes, diseases of the peripheral or central nervous system or cancers.

  该发明涉及公式1的新二氢噻吡嘧啶磺氧化物，以及其药理学上可接受的盐，其中X为SO或SO2，但最好为SO，其中R3表示一个可选择取代的、单环或双环的、不饱和的、部分饱和的或饱和的杂环，或一个可选择取代的、单环或双环的杂芳基，其中R1和R2具有权利要求1中所述的含义，以及含有这些化合物的药物组合物。这些新的二氢噻吡嘧啶磺氧化物适用于治疗呼吸道或胃肠道疾病，关节、皮肤或眼睛的炎症性疾病，外周或中枢神经系统疾病或癌症。