2-(4-三氟甲基苯基)乙胺 | 775-00-8

• 物质功能分类: 有机原料 - 氨基化合物 - 环烷胺、芳香单胺、芳香多胺及其衍生物和盐
• 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-(4-三氟甲基苯基)乙胺
• 中文别名: 4-三氟甲基苯乙胺；对三氟甲基苯乙胺；2-(4-三氟甲基苯基)乙基胺；4-(三氟甲基)苯乙胺
• 英文名称: 2-(4-trifluoromethyl-phenyl)-ethylamine
• 英文别名: 2-(4-(trifluoromethyl)phenyl)ethan-1-amine；4-trifluoromethylphenethylamine；2-(4-(trifluoromethyl)phenyl)ethanamine；(4-(trifluoromethyl)phenyl)ethylamine；2-[4-(trifluoromethyl)phenyl]ethanamine
• CAS: 775-00-8
• 化学式: C₉H₁₀F₃N
• mdl: MFCD01529875
• 分子量: 189.18
• InChiKey: HMFOBPNVAAAACP-UHFFFAOYSA-N

物化性质

• 沸点：
  210℃
• 密度：
  1.186
• 闪点：
  86℃

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险等级：
  8
• 海关编码：
  2921499090

SDS

Version 1.0
Regulation (EC) No 1907/2006

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1 - Product and Company Information

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Product Name 2-(4-TRIFLUOROMETHYLPHENYL)ETHYLAMINE-10
MG

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2 - Hazards Identification

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SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
Harmful if swallowed. Irritating to eyes, respiratory system and
skin.

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3 - Composition/Information on Ingredients

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Product Name CAS # EC no Annex I
Index Number
2-(4-TRIFLUOROMETHYLPHENYL)ETHYLAM 775-00-8 None None
INE
Formula C9H10F3N
Molecular Weight 189,1800 AMU

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4 - First Aid Measures

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AFTER INHALATION
If inhaled, remove to fresh air. If not breathing give
artificial respiration. If breathing is difficult, give oxygen.
AFTER SKIN CONTACT
In case of skin contact, flush with copious amounts of water for
at least 15 minutes. Remove contaminated clothing and shoes.
Call a physician.
AFTER EYE CONTACT
In case of contact with eyes, flush with copious amounts of
water for at least 15 minutes. Assure adequate flushing by
separating the eyelids with fingers. Call a physician.
AFTER INGESTION
If swallowed, wash out mouth with water provided person is
conscious. Call a physician.
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5 - Fire Fighting Measures

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EXTINGUISHING MEDIA
Suitable: Water spray. Carbon dioxide, dry chemical powder, or
appropriate foam.
SPECIAL RISKS
Specific Hazard(s): Emits toxic fumes under fire conditions.
SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
Wear self-contained breathing apparatus and protective clothing
to prevent contact with skin and eyes.

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6 - Accidental Release Measures

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PERSONAL PRECAUTION PROCEDURES TO BE FOLLOWED IN CASE OF LEAK OR SPILL
Evacuate area.
PROCEDURE(S) OF PERSONAL PRECAUTION(S)
Wear respirator, chemical safety goggles, rubber boots, and
heavy rubber gloves.
METHODS FOR CLEANING UP
Sweep up, place in a bag and hold for waste disposal. Avoid
raising dust. Ventilate area and wash spill site after material
pickup is complete.

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7 - Handling and Storage

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HANDLING
Directions for Safe Handling: Do not breathe dust. Avoid contact
with eyes, skin, and clothing. Avoid prolonged or repeated
exposure.
STORAGE
Conditions of Storage: Keep tightly closed. Store under nitrogen.
SPECIAL REQUIREMENTS: Store under inert gas.

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8 - Exposure Controls / Personal Protection

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ENGINEERING CONTROLS
Safety shower and eye bath. Mechanical exhaust required.
GENERAL HYGIENE MEASURES
Wash thoroughly after handling.
PERSONAL PROTECTIVE EQUIPMENT
Respiratory Protection: Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US)
or CEN (EU). Where risk assessment shows air-purifying respirators
are appropriate use a dust mask type N95 (US) or type P1 (EN 143)
respirator.
Hand Protection: Compatible chemical-resistant gloves.
Eye Protection: Chemical safety goggles.

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9 - Physical and Chemical Properties

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pH N/A
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BP/BP Range N/A
MP/MP Range N/A
Flash Point N/A
Flammability N/A
Autoignition Temp N/A
Oxidizing Properties N/A
Explosive Properties N/A
Explosion Limits N/A
Vapor Pressure N/A
Partition Coefficient N/A
Viscosity N/A
Vapor Density N/A
Saturated Vapor Conc. N/A
Evaporation Rate N/A
Bulk Density N/A
Decomposition Temp. N/A
Solvent Content N/A
Water Content N/A
Surface Tension N/A
Conductivity N/A
Miscellaneous Data N/A
Solubility N/A

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10 - Stability and Reactivity

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STABILITY
Stable: Stable.
Materials to Avoid: Oxidizing agents.
HAZARDOUS DECOMPOSITION PRODUCTS
Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide,
Hydrogen fluoride.
HAZARDOUS POLYMERIZATION
Hazardous Polymerization: Will not occur

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11 - Toxicological Information

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SIGNS AND SYMPTOMS OF EXPOSURE
The chemical, physical, and toxicological properties of this
product have not been thoroughly investigated.
ROUTE OF EXPOSURE
Skin Contact: Causes skin irritation.
Skin Absorption: May be harmful if absorbed through the skin.
Eye Contact: Causes eye irritation.
Inhalation: Material is irritating to mucous membranes and upper
respiratory tract. May be harmful if inhaled.
Ingestion: Harmful if swallowed.

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12 - Ecological Information

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No data available.

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13 - Disposal Considerations

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SUBSTANCE DISPOSAL
Contact a licensed professional waste disposal service to dispose
of this material. Dissolve or mix the material with a combustible
solvent and burn in a chemical incinerator equipped with an
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afterburner and scrubber. Observe all federal, state, and local
environmental regulations.

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14 - Transport Information

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RID/ADR
Non-hazardous for road transport.
IMDG
Non-hazardous for sea transport.
IATA
Non-hazardous for air transport.

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15 - Regulatory Information

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CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES
INDICATION OF DANGER: Xn
Harmful.
R-PHRASES: 22-36/37/38
Harmful if swallowed. Irritating to eyes, respiratory system
and skin.
S-PHRASES: 36/37/39
Wear suitable protective clothing, gloves, and eye/face
protection.
Caution: Substance not yet fully tested (EU).

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16 - Other Information

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WARRANTY
The above information is believed to be correct but does not
purport to be all inclusive and shall be used only as a guide. The
information in this document is based on the present state of our
knowledge and is applicable to the product with regard to
appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Inc.,
shall not be held liable for any damage resulting from handling or
from contact with the above product. See reverse side of invoice
or packing slip for additional terms and conditions of sale.
Copyright 2010 Co. License granted to make
unlimitedpaper copies for internal use only.
DISCLAIMER
For R&D use only. Not for drug, household or other uses.
ALDRICH www.molbase.com

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

化学性质

2-(4-三氟甲基苯基)乙胺在常温常压下为无色透明至淡黄色液体，微溶于水，易溶于甲苯等有机溶剂。

用途

2-(4-三氟甲基苯基)乙胺是一种重要的合成中间体，并且还可用于钙钛矿电池研究，以增强太阳能电池器件的稳定性能。

反应信息

• 作为反应物：
  描述：

  2-(4-三氟甲基苯基)乙胺 在 吡啶 、 1,1,1,3,3,3-hexafluoropropan-2-yl sulfamate 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 以90%的产率得到2-(4-(trifluoromethyl)phenyl)ethyl sulfamide
  参考文献：
  名称：

  六氟异丙基氨基磺酸盐：合成氨基磺酸盐和磺酰胺的有用试剂

  摘要：

  氨基磺酸盐和磺酰胺最经常是由醇和胺与氨磺酰氯合成的，氨磺酰氯是不稳定的试剂。我们已经确定六氟异丙基氨基磺酸盐（HFIPS）是一种稳定的固体，在温和的反应条件下，它很容易与多种醇，胺，酚和苯胺反应。反应的唯一副产物是六氟异丙醇（HFIP），在进行水后处理（可选）并通过蒸发除去溶剂后，通常可以高纯度分离反应产物。

  DOI：

  10.1021/acs.orglett.1c00855
• 作为产物：
  描述：

  4-(三氟甲基)苄醇 在 lithium aluminium tetrahydride 、 三氯化铝 、 氢溴酸 作用下， 以 乙醚 、 乙醇 为溶剂， 生成 2-(4-三氟甲基苯基)乙胺
  参考文献：
  名称：

  消除反应的同位素效应研究。六、2-芳乙基铵离子的双分子消除反应机理

  摘要：

  使用示踪剂和动力学同位素效应技术研究了乙醇中 2-芳基乙基三甲基铵离子与乙醇盐离子的消除反应机理。2-苯基乙基三甲基铵-2,2-d2 溴化物和 2-(对三氟甲基苯基)-乙基三甲基铵-2,2-d2 溴化物均不与溶剂交换，观察到的氮同位素效应分别为 1.3% 和 0.9%。消除了涉及两种盐的自由溶剂化碳负离子中间体的两步过程。当溶剂从乙醇变为水时，观察到氮同位素效应的大小仅发生轻微变化，这也排除了两性离子中间体，该中间体与通过去除 β-氢形成的乙醇分子特异性氢键合乙氧基离子。最后，使用 α- 和 β- 双氘化底物的示踪研究消除了涉及叶立德和卡宾中间体的不太可能的反应途径。结论是2-芳基醚的反应...

  DOI：

  10.1139/v70-017

文献信息

• [EN] HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES POUR LE TRAITEMENT D'ÉTATS LIÉS AU STRESS
  申请人：OTSUKA PHARMA CO LTD

  公开号：WO2010137738A1

  公开（公告）日：2010-12-02

  The present invention provides a novel heterocyclic compound. A heterocyclic compound represented by general formula (1) wherein, R1 and R2, each independently represent hydrogen; a phenyl lower alkyl group that may have a substituent(s) selected from the group consisting of a lower alkyl group and the like on a benzene ring and/or a lower alkyl group; or a cyclo C3-C8 alkyl lower alkyl group; or the like; R3 represents a lower alkynyl group or the like; R4 represents a phenyl group that may have a substituent(s) selected from the group consisting of a 1,3,4-oxadiazolyl group that may have e.g., halogen or a heterocyclic group selected from pyridyl group and the like; the heterocyclic group may have at least one substituent(s) selected from a lower alkoxy group and the like or a salt thereof.

  本发明提供了一种新颖的杂环化合物。一种由通式（1）表示的杂环化合物，其中，R1和R2分别独立表示氢；苯基较低烷基基团，可能在苯环和/或较低烷基基团上具有从较低烷基基团等组成的取代基；或环C3-C8烷基较低烷基基团；或类似物；R3表示较低炔基基团或类似物；R4表示可能具有从1,3,4-噁二唑基团（例如，卤素）或从吡啶基团等组成的取代基的苯基团；所述杂环基可能具有至少一个从较低烷氧基等选择的取代基或其盐。
• Reaction of Diisobutylaluminum Borohydride, a Binary Hydride, with Selected Organic Compounds Containing Representative Functional Groups
  作者：Gabriella Amberchan、Rachel A. Snelling、Enrique Moya、Madison Landi、Kyle Lutz、Roxanne Gatihi、Bakthan Singaram

  DOI：10.1021/acs.joc.0c03062

  日期：2021.5.7

  from diisobutylaluminum hydride (DIBAL) and borane dimethyl sulfide (BMS) has shown great potential in reducing a variety of organic functional groups. This unique binary hydride, (iBu)2AlBH4, is readily synthesized, versatile, and simple to use. Aldehydes, ketones, esters, and epoxides are reduced very fast to the corresponding alcohols in essentially quantitative yields. This binary hydride can reduce

  由氢化二异丁基铝（DIBAL）和硼烷二甲基硫醚（BMS）合成的二元氢化物二异丁基硼氢化铝[（i Bu）2 AlBH 4 ]在还原各种有机官能团方面显示出巨大潜力。这种独特的二元氢化物（i Bu）2 AlBH 4易于合成，通用且易于使用。醛，酮，酯和环氧化物以基本定量的收率非常快地还原为相应的醇。该二元氢化物可以在25°C下以有效方式将叔酰胺迅速还原为相应的胺。此外，腈以基本上定量的产率转化为相应的胺。这些反应在环境条件下发生，并在一个小时或更短的时间内完成。还原产物可通过简单的酸碱萃取而分离，无需使用柱色谱法。进一步的研究表明（i Bu）2 AlBH 4如一系列竞争反应所示，它具有成为选择性氢化物供体的潜力。讨论了（i Bu）2 AlBH 4，DIBAL和BMS之间的异同。
• Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor
  申请人：——

  公开号：US20040157849A1

  公开（公告）日：2004-08-12

  Compounds of formula (I) 1 are novel VR1 antagonists that are useful in treating pain, inflammatory thermal hyperalgesia, urinary incontinence and bladder overactivity.

  式（I）的化合物是新颖的VR1拮抗剂，可用于治疗疼痛、炎症性热性过敏、尿失禁和膀胱过度活动。
• [EN] UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS<br/>[FR] DÉRIVÉS D'URÉE UTILISÉE EN TANT QUE MODULATEURS ALLOSTÉRIQUES DE CB1
  申请人：RTI INT

  公开号：WO2020264176A1

  公开（公告）日：2020-12-30

  Heteroaryl and aliphatic analogs of diarylurea-based cannabinoid 1 receptor (CB1 R) allosteric modulators of formula (I) are described. Exemplary analogs can provide improved potencies and pharmacokinetic properties. Methods of using the analogs to treat diseases mediated by CB1 R, such as substance abuse and obesity are described.

  基于二芳基脲的大麻素受体1（CB1 R）变构调节剂的杂环芳基和脂肪族类似物（I）的化学式已被描述。示例类似物可以提供改进的效力和药代动力学特性。描述了使用这些类似物治疗由CB1 R介导的疾病的方法，如物质滥用和肥胖症。
• [EN] NITROIMIDAZOXADIAZOCINE COMPOUNDS<br/>[FR] COMPOSÉS NITROIMIDAZOXADIAZOCINES
  申请人：ITHEMBA PHARMACEUTICALS PROPRIETARY LTD

  公开号：WO2013072903A1

  公开（公告）日：2013-05-23

  This invention relates to nitroimidazoxadiazocine compounds having the general Formula I, pharmaceutical compositions and uses of the same. The invention also relates to methods of making such nitroimidazoxadiazocine compounds of Formula I.

  这项发明涉及具有一般式I的硝基咪唑噁二唑环化合物，以及其药用组合物和用途。该发明还涉及制备一般式I的硝基咪唑噁二唑环化合物的方法。