4-氨基-2,5-二氟三氟甲苯 | 114973-22-7

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟甲苯系列
• 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-氨基-2,5-二氟三氟甲苯
• 中文别名: 2,5-二氟-4-(三氟甲基)苯胺
• 英文名称: 2,5-difluoro-4-trifluoromethyl-aniline
• 英文别名: 4-Amino-2,5-difluorobenzotrifluoride；2,5-difluoro-4-(trifluoromethyl)aniline
• CAS: 114973-22-7
• 化学式: C₇H₄F₅N
• mdl: MFCD00190121
• 分子量: 197.107
• InChiKey: FPEXXFHBKBTGJL-UHFFFAOYSA-N

物化性质

• 沸点：
  196°C
• 密度：
  1,512 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 危险等级：
  6.1
• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R23/24/25
• 海关编码：
  2921420090
• 危险品运输编号：
  2810
• 包装等级：
  III
• 危险类别：
  6.1
• 危险性防范说明：
  P261,P280,P305+P351+P338,P311
• 危险性描述：
  H302+H312,H315,H319,H331,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Amino-2,5-difluorobenzotrifluoride
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H331: Toxic if inhaled
H302: Harmful if swallowed
H312: Harmful in contact with skin
H315: Causes skin irritation
H319: Causes serious eye irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
P280: Wear protective gloves/protective clothing/eye protection/face protection
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P304+P340:
P405: Store locked up

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Section 3. Composition/information on ingredients.
Ingredient name: 4-Amino-2,5-difluorobenzotrifluoride
CAS number: 114973-22-7

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Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C7H4F5N
Molecular weight: 197.1

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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
UN Number: UN2810 Class: 6.1 Packing group: III
Proper shipping name: TOXIC, LIQUIDS, ORGANIC, N.O.S. OR TOXIC, LIQUIDS, ORGANIC, N.O.S. INHALA-
TION HAZARD, PACKING GROUP I, ZONE A OR B (4-Amino-2,5-difluorobenzotrifluoride)

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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-氨基-2,5-二氟三氟甲苯 在 亚硝酸特丁酯 、 copper(ll) bromide 作用下， 以 乙腈 为溶剂， 反应 3.0h， 以51%的产率得到1-溴-2,5-二氟-4-三氟甲基苯
  参考文献：
  名称：

  WO2008/78291

  摘要：

  公开号：
• 作为产物：
  描述：

  N-(2,5-difluoro-4-(trifluoromethyl)phenyl)acetamide 在 硫酸 作用下， 以 甲醇 为溶剂， 以99%的产率得到4-氨基-2,5-二氟三氟甲苯
  参考文献：
  名称：

  A benzoylurea derivative and its production and use

  摘要：

  公开号：

  EP0246061B1

文献信息

• [EN] (AZA)INDOLE-, BENZOTHIOPHENE-, AND BENZOFURAN-3-SULFONAMIDES<br/>[FR] (AZA)INDOLE, BENZOTHIOPHÈNE ET BENZOFURAN-3-SULFONAMIDES
  申请人：UCB PHARMA GMBH

  公开号：WO2018122232A1

  公开（公告）日：2018-07-05

  Disclosed are sulfonamide compounds with GPR17 modulating properties, which are useful for treating or preventing a variety of CNS and other diseases, in particular for preventing and treating myelinating diseases or disorders.

  揭示了具有GPR17调节特性的磺胺类化合物，可用于治疗或预防各种中枢神经系统和其他疾病，特别是用于预防和治疗髓鞘疾病或紊乱。
• [EN] Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R)<br/>[FR] UREE-OCTAHYDROINDOLES SUBSTITUES UTILISES EN TANT QU'ANTAGONISTES DU RECEPTEUR 1 DE L'HORMONE CONCENTRANT LA MELANINE (MCH1R)
  申请人：BIOVITRUM AB

  公开号：WO2005051381A1

  公开（公告）日：2005-06-09

  The invention relates to compounds of the general formula (I) wherein R0, R1, R2, R3, R4, R5, R6, R7, R8, R9, Ar, and X are as defined in the description, or a pharmaceutically acceptable salt, hydrates, geometrical isomers, racemates, tautomers, optical isomers, N-oxides and prodrug forms thereof. The compounds may be used for the treatment or prophylaxis of disorders related to the MCH1R receptor and for modulation of appetite. The invention also relates to such use as well as to pharmaceutical formulations comprising a compound of formula (I).

  该发明涉及通式（I）的化合物，其中R0、R1、R2、R3、R4、R5、R6、R7、R8、R9、Ar和X如描述中所定义，或其药学上可接受的盐、水合物、几何异构体、消旋体、互变异构体、光学异构体、N-氧化物及其前药形式。这些化合物可用于治疗或预防与MCH1R受体相关的疾病，并用于调节食欲。该发明还涉及该用途以及包含通式（I）化合物的药物配方。
• 4-4-(Anilinomethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-1-ylbenzoic acid derivatives as potent anti-gram-positive bacterial agents
  作者：Raj KC. Hansa、M.M.K. Khan、M.M. Frangie、D.F. Gilmore、R.S. Shelton、A.V. Savenka、A.G. Basnakian、S.L. Shuttleworth、M.S. Smeltzer、M.A. Alam

  DOI：10.1016/j.ejmech.2021.113402

  日期：2021.7

  A collection of potent antimicrobials consisting of novel 1,3-bis-benzoic acid and trifluoromethyl phenyl derived pyrazoles has been synthesized and tested for antibacterial activity. The majority of trifluoromethyl phenyl derivatives are highly potent growth inhibitors of Gram-positive bacteria and showed low toxicity to human cultured cells. In particular, two compounds (59 and 74) were selected

  已经合成了一组由新型 1,3-双苯甲酸和三氟甲基苯基衍生的吡唑组成的强效抗菌剂，并对其抗菌活性进行了测试。大多数三氟甲基苯基衍生物是革兰氏阳性菌的高效生长抑制剂，对人培养细胞具有低毒性。特别是，选择了两种化合物（59和74）进行进一步研究。这些化合物对金黄色葡萄球菌非常有效如最低抑菌浓度 (MIC) 低、时间杀灭试验中的杀菌作用、对生物膜形成和生物膜破坏的适度抑制以及对代表非生长持久细胞的静止期细胞的杀菌作用所示。多步骤耐药性测定显示金黄色葡萄球菌和粪肠球菌通过突变产生耐药性的趋势非常低。此外，在体内小鼠模型研究表明，使用 14 种血浆器官毒性标志物或肝脏和肾脏中的 TUNEL 测定，剂量高达 50 mg/kg 时没有有害影响。通过进行大分子合成抑制研究对作用方式的调查显示了广泛的抑制作用，表明对细菌细胞功能具有全局影响的靶标。
• Substituted p-trifluoromethylphenyluracils
  申请人：Bayer Aktiengesellschaft

  公开号：US06130225A1

  公开（公告）日：2000-10-10

  The invention relates to novel substituted p-trifluoromethylphenyluracils of the general formula (I) in which R.sup.1, R.sup.2, R.sup.3, R.sup.4 and R.sup.5 are each as defined in the description, to a process for their preparation and to their use as herbicides.

  该发明涉及一种新型的取代p-三氟甲基苯基尿嘧啶，其一般式为(I)，其中R.sup.1、R.sup.2、R.sup.3、R.sup.4和R.sup.5如描述中所定义，以及它们的制备过程和作为除草剂的用途。
• [EN] ANTI-VIRAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIVIRAUX
  申请人：ABBVIE INC

  公开号：WO2012116257A1

  公开（公告）日：2012-08-30

  Compounds effective in inhibiting replication of Hepatitis C virus ("HCV") are described. This invention also relates to processes of making such compounds, compositions comprising such compounds, and methods of using such compounds to treat HCV infection.

  本发明描述了抑制丙型肝炎病毒（“HCV”）复制的有效化合物。本发明还涉及制备这种化合物的过程，包含这种化合物的组合物，以及使用这种化合物治疗HCV感染的方法。