邻氨基三氟甲氧基苯 | 1535-75-7

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 芳香烃
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 邻氨基三氟甲氧基苯
• 中文别名: 2-三氟甲氧基苯胺；2-(三氟甲氧基)苯胺；邻三氟甲氧基苯胺；α,α,α-三氟邻茴香胺
• 英文名称: 2-trifluoromethoxy aniline
• 英文别名: o-aminotrifluoromethoxybenzene；2-(Trifluoromethoxy)aniline
• CAS: 1535-75-7
• 化学式: C₇H₆F₃NO
• mdl: MFCD00035959
• 分子量: 177.126
• InChiKey: ZFCOUBUSGHLCDT-UHFFFAOYSA-N

物化性质

• 沸点：
  61-63 °C (15 mmHg)
• 密度：
  1,301 g/cm3
• 闪点：
  54°C
• 溶解度：
  氯仿（微溶）、乙酸乙酯（微溶）
• 稳定性/保质期：
  如果遵照规格使用和储存，则不会分解，未有已知危险反应。请避免接触氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 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：
  35.2
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险等级：
  3
• 危险品标志：
  Xn
• 安全说明：
  S16,S26,S36/37/39,S45
• 危险类别码：
  R20/21/22,R36/37/38
• WGK Germany：
  3
• 海关编码：
  2922299090
• 危险品运输编号：
  1993
• 危险类别：
  3
• 包装等级：
  III
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H225,H302,H312,H315,H319,H332,H335
• 储存条件：
  请将贮藏器保持密封状态，并存放在阴凉干燥处。同时，确保工作环境具备良好通风或排气设施。

SDS

Revision number: 5
2-(Trifluoromethoxy)aniline
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
2-(Trifluoromethoxy)aniline
Product name:


5
Revision number:

---

Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS
Category 3
Flammable liquids
HEALTH HAZARDS
Category 4
Acute toxicity (Oral)
Category 4
Acute toxicity (Dermal)
Category 4
Acute toxicity (Inhalation)
Category 2
Skin corrosion/irritation
Category 2A
Serious eye damage/eye irritation
Not classified
ENVIRONMENTAL HAZARDS
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Warning
Signal word
Flammable liquid and vapour
Hazard statements
Harmful if swallowed, in contact with skin or if inhaled
Causes skin irritation
Causes serious eye irritation
Precautionary statements:
Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
[Prevention]
Keep container tightly closed.
Use explosion-proof electrical/ventilating/lighting equipment. Take precautionary
measures against ignition by the static discharge and the spark.
Avoid breathing dust/fume/gas/mist/vapours/spray.
Use only outdoors or in a well-ventilated area.
Do not eat, drink or smoke when using this product.
Wash hands thoroughly after handling.
Wear protective gloves and eye/face protection.
2-(Trifluoromethoxy)aniline

---

Section 2. HAZARDS IDENTIFICATION
IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for
[Response]
breathing. Call a POISON CENTER or doctor/physician if you feel unwell.
IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell.
Rinse mouth.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
if present and easy to do. Continue rinsing.
If eye irritation persists: Get medical advice/attention.
IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
skin with water/shower.
If skin irritation occurs: Get medical advice/attention.
Wash contaminated clothing before reuse.
Call a POISON CENTER or doctor/physician if you feel unwell.
Store in a well-ventilated place. Keep cool.
[Storage]
Dispose of contents/container through a waste management company authorized by
[Disposal]
the local government.

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance
Substance/mixture:
2-(Trifluoromethoxy)aniline
Components:
>98.0%(GC)
Percent:
1535-75-7
CAS Number:
α,α,α-Trifluoro-o-anisidine
Synonyms:
C7H6F3NO
Chemical Formula:

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Section 4. FIRST AID MEASURES
Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Inhalation:
Call a POISON CENTER or doctor/physician if you feel unwell.
Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
Skin contact:
soap and water. If skin irritation or rash occurs: Get medical advice/attention.
Rinse cautiously with water for several minutes. Remove contact lenses, if present
Eye contact:
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth.
Ingestion:
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Dry chemical, foam, water spray, carbon dioxide.
Suitable extinguishing
media:
Unsuitable extinguishing Solid streams of water
media:
Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
generate poisonous fume.
from the chemical:
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Keep containers cool by
spraying with water. Eliminate all ignition sources if safe to do so.
When extinguishing fire, be sure to wear personal protective equipment.
Special protective
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Use personal protective equipment. Keep people away from and upwind of spill/leak.
Personal precautions,
protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled
emergency procedures: around the leakage area by roping off, etc.
Environmental precautions: Prevent product from entering drains.
2-(Trifluoromethoxy)aniline

---

Section 6. ACCIDENTAL RELEASE MEASURES
Methods and materials for Absorb spilled material in dry sand or inert absorbent before recovering it into an
containment and cleaning airtight container. In case of large amount of spillage, contain a spill by bunding.
up: Adhered or collected material should be promptly disposed of, in accordance with
appropriate laws and regulations.
Prevention of secondary Remove all sources of ignition. Fire-extinguishing devices should be prepared in
case of a fire. Use spark-proof tools and explosion-proof equipment.
hazards:

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Handling is performed in a well ventilated place. Wear suitable protective equipment.
Technical measures:
Prevent generation of vapour or mist. Keep away from heat/sparks/open flame/hot
surfaces. -No smoking. Take measures to prevent the build up of electrostatic
charge. Use explosion-proof equipment. Wash hands and face thoroughly after
handling.
Use a closed system if possible. Use a ventilation, local exhaust if vapour or aerosol
will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Keep container tightly closed. Store in a cool, dark and well-ventilated place.
Storage conditions:
Store under inert gas.
Store away from incompatible materials such as oxidizing agents.
Air-sensitive
Comply with laws.
Packaging material:

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Install a closed system or local exhaust. Also install safety shower and eye bath.
Engineering controls:
Personal protective equipment
Respiratory protection: Vapor respirator. Follow local and national regulations.
Protective gloves.
Hand protection:
Safety glasses. A face-shield, if the situation requires.
Eye protection:
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Liquid
Physical state (20°C):
Clear
Form:
Colorless - Reddish yellow
Colour:
No data available
Odour:
pH: No data available
Melting point/freezing point:No data available
63°C/2kPa
Boiling point/range:
54°C
Flash point:
Flammability or explosive
limits:
No data available
Lower:
No data available
Upper:
1.32
Relative density:
Solubility(ies):
No data available
[Water]
No data available
[Other solvents]

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Section 10. STABILITY AND REACTIVITY
Stable under proper conditions.
Chemical stability:
Possibility of hazardous No special reactivity has been reported.
reactions:
Spark, Open flame, Static discharge
Conditions to avoid:
2-(Trifluoromethoxy)aniline

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Section 10. STABILITY AND REACTIVITY
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Hydrogen fluoride
products:

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Section 11. TOXICOLOGICAL INFORMATION
No data available
Acute Toxicity:
No data available
Skin corrosion/irritation:
No data available
Serious eye
damage/irritation:
No data available
Germ cell mutagenicity:
Carcinogenicity:
No data available
IARC =
No data available
NTP =
No data available
Reproductive toxicity:

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
No data available
Fish:
No data available
Crustacea:
No data available
Algae:
Persistence / degradability: No data available
No data available
Bioaccumulative
potential(BCF):
Mobility in soil
No data available
Log Pow:
No data available
Soil adsorption (Koc):
No data available
Henry's Law
constant(PaM3/mol):

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical
incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when
disposing of the substance.

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Section 14. TRANSPORT INFORMATION
3: Flammable liquid.
Hazards Class:
1993
UN-No:
Flammable liquid, n.o.s.
Proper shipping name:
III
Packing group:

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.
2-(Trifluoromethoxy)aniline

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

化学性质：无色透明的液体，熔点为61-63℃。

用途：作为合成医药和染料等化学品的中间体。

反应信息

• 作为反应物：
  描述：

  邻氨基三氟甲氧基苯 在 盐酸 、 sodium nitrite 、 tin(II) chloride dihdyrate 作用下， 以 水 为溶剂， 反应 3.0h， 以55%的产率得到2-三氟甲氧基苯肼(HCL)
  参考文献：
  名称：

  [EN] BORON CONTAINING COMPOUNDS AND THEIR USES
  [FR] COMPOSÉS CONTENANT DU BORE ET LEURS UTILISATIONS

  摘要：

  本公开涉及新型含硼化合物及其新用途，例如作为具有杀虫活性的活性成分。该公开还涉及农药组合物及其在农业或园艺中用于控制或预防植物、植物部分、植物繁殖材料、收获的食物作物或种子受到害虫（特别是真菌和线虫）侵害的用途。该公开还涉及促进植物生长表现和/或在植物、植物部分、植物繁殖材料、种子、收获的水果或蔬菜上或内部治疗或预防控制植物病原体（特别是真菌和线虫）的方法。

  公开号：

  WO2022040157A1
• 作为产物：
  描述：

  邻溴三氟甲氧基苯 在 ammonium hydroxide 、 2-O-methyl-L-inositol 、 copper(II) acetate monohydrate 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 12.0h， 以82%的产率得到邻氨基三氟甲氧基苯
  参考文献：
  名称：

  Quebrachitol 或二甘醇促进的铜 (II)-催化芳基卤化物和 N-亲核试剂的 C-N 偶联

  摘要：

  在本文中，我们报告了天然配体 quebrachitol (QCT) 作为 Cu(II) 催化剂的促进剂，它对各种胺和相关芳基卤化物的 N-芳基化非常有效。通过使用二甘醇（DEG）作为配体和溶剂，以高收率获得了一系列二芳胺衍生物。C-N偶联反应在温和的条件下进行并表现出良好的官能团耐受性。

  DOI：

  10.1055/s-0039-1690707

文献信息

• Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20150231142A1

  公开（公告）日：2015-08-20

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及含有上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• [EN] HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES<br/>[FR] INHIBITEURS DE HSL UTILES DANS LE TRAITEMENT DU DIABÈTE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2011029808A1

  公开（公告）日：2011-03-17

  Compounds of formula (I), as well as pharmaceutically acceptable salts thereof can be used in the form of pharmaceutical compositions, wherein A1, A2, R1,R2 R3,R4 R5 and R6 have the significance given in claim 1. Objects of the present invention are the compounds of formula (I) and their aforementioned salts and esters and their use as therapeutically active substances, a process for the manufacture of the said compounds, intermediates, pharmaceutical compositions, medicaments containing the said compounds, their pharmaceutically acceptable salts or esters, the use of the said compounds, salts or esters for the treatment or prophylaxis of illnesses, especially in the treatment or prophylaxis of diabetes, metabolic syndrome, dyslipidemia, atherosclerosis or obesity and the use of the said compounds, salts or esters for the production of medicaments for the treatment or prophylaxis of diabetes, metabolic syndrome, dyslipidemia, atherosclerosis or obesity.

  化合物的化学式（I），以及其药学上可接受的盐可以用作药物组合物的形式，其中A1，A2，R1，R2，R3，R4，R5和R6具有权利要求1中给定的含义。本发明的目的是化学式（I）的化合物及其上述的盐和酯，以及它们作为治疗活性物质的用途，制造所述化合物的方法，中间体，含有所述化合物的药物组合物，含有所述化合物、其药学上可接受的盐或酯的药物，所述化合物、盐或酯的用途用于治疗或预防疾病，特别是用于治疗或预防糖尿病、代谢综合征、血脂异常、动脉粥样硬化或肥胖症，以及所述化合物、盐或酯的用途用于生产用于治疗或预防糖尿病、代谢综合征、血脂异常、动脉粥样硬化或肥胖症的药物。
• [EN] GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE<br/>[FR] INHIBITEURS DE GLYCOLATE OXYDASE POUR LE TRAITEMENT D'UNE MALADIE
  申请人：BIOMARIN PHARM INC

  公开号：WO2020257487A1

  公开（公告）日：2020-12-24

  Described herein are compounds, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and methods of using such compounds to treat or prevent diseases or disorders associated with a defect in glyoxylate metabolism, for example a disease or disorder associated with the enzyme glycolate oxidase (GO) or alterations in oxalate metabolism. Such diseases or disorders include, for example, disorders of glyoxylate metabolism, including primary hyperoxaluria, that are associated with production of excessive amounts of oxalate.

  本文描述了化合物、制备这种化合物的方法、含有这种化合物的药物组合物和药物，以及使用这种化合物治疗或预防与甘氧酸代谢缺陷相关的疾病或紊乱的方法，例如与甘氧酸氧化酶（GO）或草酸代谢变化相关的疾病或紊乱。这些疾病或紊乱包括与产生过多草酸相关的甘氧酸代谢紊乱，例如原发性高草酸尿症。
• COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES
  申请人：Van Goor Fredrick F.

  公开号：US20110098311A1

  公开（公告）日：2011-04-28

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及包含上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• 2-全氟烷基吲哚衍生物及其合成方法
  申请人：上海麦克林生化科技有限公司

  公开号：CN104892485B

  公开（公告）日：2018-03-23

  本发明涉及一种2‑全氟烷基吲哚衍生物及其合成方法，该化合物的结构为：其中RF为C1—C3的全氟烷基。本发明方法以易得的苯胺衍生物及合成手法成熟的全氟烷基炔酸酯作为原料，在一定条件下，通过Michael加成和C‑H活化合成含全氟烷基吲哚衍生物，与传统方式合成类似产物相比，该方法利用苯胺和炔类为起始原料，可大大拓展底物的选择性；并且在氧化过程中该方法抛去传统意义上的氧化剂，利用氧气作为氧化剂，体现了绿色和可持续性化学的理念。区域选择性高，产率良好。因此本方法是合成2‑全氟烷基吲哚衍生物的有效新方法。

表征谱图