4-氟-2-(三氟甲基)苄胺 | 202522-22-3

• 物质功能分类: 化学试剂 - 有机试剂 - 酰亚胺
• 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-(三氟甲基)苄胺
• 中文别名: 4-氟-2-三氟甲基苄胺
• 英文名称: (4-fluoro-2-(trifluoromethyl)phenyl)methanamine
• 英文别名: 4-fluoro-2-(trifluoromethyl)benzylamine；2-trifluoromethyl-4-fluorobenzylamine；[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
• CAS: 202522-22-3
• 化学式: C₈H₇F₄N
• mdl: MFCD00061164
• 分子量: 193.144
• InChiKey: BLQGRYYLPWCHMA-UHFFFAOYSA-N

物化性质

• 沸点：
  177℃
• 密度：
  1.312
• 闪点：
  73℃
• 稳定性/保质期：
  避免接触氧化剂、空气和酸。

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险等级：
  8
• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• 海关编码：
  2921499090
• 危险品运输编号：
  2735
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H314

SDS

Name:	4-Fluoro-2-(trifluoromethyl)benzylamine Material Safety Data Sheet
Synonym:
CAS:	202522-22-3

Section 1 - Chemical Product MSDS Name:4-Fluoro-2-(trifluoromethyl)benzylamine Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
202522-22-3	4-Fluoro-2-(trifluoromethyl)benzylamin		unlisted

Hazard Symbols: C
Risk Phrases: 34

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Air sensitive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

---

Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:
Treat symptomatically and supportively.

---

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

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Section 7 - HANDLING and STORAGE
Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. Store under an inert atmosphere.

---

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 202522-22-3: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H7F4N
Molecular Weight: 193.14

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, exposure to air.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 202522-22-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Fluoro-2-(trifluoromethyl)benzylamine - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.*
Hazard Class: 8
UN Number: 2735
Packing Group: III
IMO
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing Group: III
RID/ADR
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 202522-22-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 202522-22-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 202522-22-3 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-氟-2-(三氟甲基)苄胺 在 S₈ stabilised CuO and Cu₂O nanoparticle 、 air 作用下， 以 neat (no solvent) 为溶剂， 反应 24.0h， 以97%的产率得到(E)-N-[4-fluoro-2-(trifluoromethyl)benzyl]-1-[4-fluoro-2-(trifluoromethyl)phenyl]-methanimine
  参考文献：
  名称：

  硫稳定的铜纳米颗粒，用于在环境条件下将胺类有机物氧化为亚胺

  摘要：

  金属纳米颗粒的稳定及其氧化状态的控制是纳米催化中的关键因素。已经发现元素硫是以氧化铜（I）的形式对于铜纳米颗粒而言是廉价且有效的稳定剂。通过ICP-OES，EDX，XRD，XPS，FE-SEM，SEM，TEM和Cryo-EM对Cu 2 ONPs / S 8系统进行了表征。令人惊讶的是，在有机介质中，铜纳米颗粒被组织成约1000吨硫纳米滴内的同心环。20–70 nm。在合成有机化学中，亚胺可以通过较少研究和实践中的伯胺氧化而直接获得；然而，所使用的反应条件通常是苛刻的并且远未达到绿色化学原理。铜2 ONPs / S 8已成功应用于环境条件下，使用空气作为末端氧化剂，将伯胺进行无溶剂好氧氧化为亚胺。该催化剂可在非常低的铜负载量（0.3摩尔％）下有效地实现苄胺的均相和杂化偶联，在催化上优于一系列商业化的铜催化剂。根据实验证据提出了一种反应机理，该机理阐明了关键中间体的主要不确定性。这项研究的结果为纳米催化研究提供了许多新途径。

  DOI：

  10.1039/d0ta12621g
• 作为产物：
  描述：

  4-氟-2-(三氟甲基)苯甲腈 在 镍 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以to afford 0.400 g of desired product的产率得到4-氟-2-(三氟甲基)苄胺
  参考文献：
  名称：

  Triazolone compounds as mPGES-1 inhibitors

  摘要：

  本公开涉及式（I）化合物及其药学上可接受的盐，用作mPGES-1抑制剂。这些化合物是微粒体前列腺素E合成酶-1（mPGES-1）酶的抑制剂，因此可用于治疗多种疾病或状况引起的疼痛和/或炎症，如哮喘、骨关节炎、类风湿性关节炎、急性或慢性疼痛和神经退行性疾病。

  公开号：

  US09096545B2

文献信息

• AMINE LINKED MODULATORS OF y-SECRETASE
  申请人：HO Chih Yung

  公开号：US20090105300A1

  公开（公告）日：2009-04-23

  The present invention relates to compounds of Formula I as shown below, wherein the definitions of A, X, Y, R 1 R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , and R 9 are provided in the specification. Compounds of Formula I are useful for the treatment of diseases associated with γ-secretase activity, including Alzheimer's disease.

  本发明涉及如下所示的公式I的化合物，其中规定了A、X、Y、R1、R2、R3、R4、R5、R6、R7、R8和R9的定义。公式I的化合物可用于治疗与γ-分泌酶活性相关的疾病，包括阿尔茨海默病。
• [EN] IDO INHIBITORS<br/>[FR] INHIBITEURS D'IDO
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015031295A1

  公开（公告）日：2015-03-05

  There are disclosed compounds that modulate or inhibit the enzymatic activity of indoleamine 2,3-dioxygenase (IDO), pharmaceutical compositions containing said compounds and methods of treating proliferative disorders, such as cancer, viral infections and/or autoimmune diseases utilizing the compounds of the invention.

  所公开的化合物能够调节或抑制吲哚胺2,3-双加氧酶（IDO）的酶活性，包含该化合物的药物组合物以及使用本发明的化合物治疗增殖性疾病的方法，如癌症、病毒感染和/或自身免疫疾病。
• 8-Benzyltetrahydropyrazino[2,1-<i>f</i>]purinediones: Water-Soluble Tricyclic Xanthine Derivatives as Multitarget Drugs for Neurodegenerative Diseases
  作者：Andreas Brunschweiger、Pierre Koch、Miriam Schlenk、Felipe Pineda、Petra Küppers、Sonja Hinz、Meryem Köse、Stefan Ullrich、Jörg Hockemeyer、Michael Wiese、Jag Heer、Christa E. Müller

  DOI：10.1002/cmdc.201402082

  日期：2014.5.9

  designed as tricyclic xanthine derivatives containing a basic nitrogen atom in the tetrahydropyrazine ring to improve water solubility. A library of 69 derivatives was prepared and evaluated in radioligand binding studies at adenosine receptor (AR) subtypes and for their ability to inhibit monoamine oxidases (MAO). Potent dual‐target‐directed A1/A2A adenosine receptor antagonists were identified. Several

  8-苄基取代的四氢吡嗪并[ 2,1 - f ]嘌呤二酮被设计为在四氢吡嗪环中包含碱性氮原子的三环黄嘌呤衍生物，以提高水溶性。制备了69种衍生物的文库，并在放射性配体结合研究中评估了腺苷受体（AR）亚型及其抑制单胺氧化酶（MAO）的能力。确定了有效的双靶标定向A 1 / A 2A腺苷受体拮抗剂。几种化合物显示出三重靶标抑制作用。最好的化合物之一是8-（2,4-二氯-5-氟苄基）-1,3-二甲基-6,7,8,9-四氢吡嗪并[2,1 - f ]嘌呤-2,4（1 H，3 H）-dione（72）（人类AR：K i  A 1 217 n M，A 2A 233 n M；IC 50 MAO-B：508 n M）。二氯化化合物36 [8-（3,4-二氯苄基）-1,3-二甲基-6,7,8,9-四氢吡嗪并[2,1 - f ]嘌呤-2,4（1 H，3 H）-二酮]被认为是大鼠中最佳的三靶标药物（K i  A 1
• Tricyclic Compounds As mPGES-1 Inhibitors
  申请人：Gharat Laxmikant A.

  公开号：US20120108583A1

  公开（公告）日：2012-05-03

  The present invention relates to tricyclic compounds of formula (I) or pharmaceutically acceptable salt thereof as mPGES-1 inhibitors. These compounds are inhibitors of the microsomal prostaglandin E synthase-1 (mPGES-1) enzyme and are therefore useful in the treatment of pain and/or inflammation from a variety of diseases or conditions, such as asthma, osteoarthritis, rheumatoid arthritis, acute or chronic pain and neurodegenerative diseases.

  本发明涉及式(I)的三环化合物或其药用可接受的盐作为mPGES-1抑制剂。这些化合物是微粒体前列腺素E合成酶-1（mPGES-1）酶的抑制剂，因此在治疗各种疾病或病况引起的疼痛和/或炎症方面具有用处，如哮喘、骨关节炎、类风湿性关节炎、急性或慢性疼痛和神经退行性疾病。
• SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS
  申请人：Herdewijn Piet André Maurits Maria

  公开号：US20090318456A1

  公开（公告）日：2009-12-24

  Tri-substituted pteridines and tetra-substituted pteridines exhibit a significant and selective activity against certain types of viral infections, in particular they selectively inhibit the replication of the hepatitis C virus, and are useful for the prevention and treatment of such infections.

  三取代喹啉和四取代喹啉对某些类型的病毒感染表现出显著和选择性的活性，特别是它们选择性地抑制丙型肝炎病毒的复制，并可用于预防和治疗此类感染。