2-溴-6-氯-4-(三氟甲基)苯胺 | 109919-26-8

• 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-溴-6-氯-4-(三氟甲基)苯胺
• 中文别名: 2-溴-6-三氟甲基苯胺；2-溴-6-4-(三氟甲基)苯胺；4-氨基-3-溴-5-氯三氟甲苯
• 英文名称: 2-bromo-6-chloro-4-(trifluoromethyl)aniline
• CAS: 109919-26-8
• 化学式: C₇H₄BrClF₃N
• 分子量: 274.468
• InChiKey: OVJCOPVKCCJSFE-UHFFFAOYSA-N

物化性质

• 熔点：
  27-30 °C (lit.)
• 沸点：
  72 °C (0.2 mmHg)
• 密度：
  1.7463 (estimate)
• 闪点：
  >230 °F
• 稳定性/保质期：

  远离高温、火花和火焰，避免与强氧化剂、碱或强还原剂接触。

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  6.1
• 危险品标志：
  Xn,Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R20/21/22,R36/37/38
• WGK Germany：
  3
• 海关编码：
  2921420090
• 包装等级：
  III
• 危险类别：
  6.1
• 危险品运输编号：
  2811
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

Name:	4-Amino-3-bromo-5-chlorobenzotrifluoride Material Safety Data Sheet
Synonym:	2-Bromo-6-chloro-4-trifluoromethylanilin
CAS:	109919-26-8

Section 1 - Chemical Product MSDS Name:4-Amino-3-bromo-5-chlorobenzotrifluoride Material Safety Data Sheet
Synonym:2-Bromo-6-chloro-4-trifluoromethylanilin

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
109919-26-8	4-Amino-3-bromo-5-chlorobenzotrifluori		unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
Not available.

---

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

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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 carbon dioxide, dry chemical, or water fog.

---

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

---

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

---

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 109919-26-8: 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.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 71-72 deg C @ 0.25
Freezing/Melting Point: 29-32 deg C
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: C7H4BrClF3N
Molecular Weight: 274.3869

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Not available.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas, hydrogen bromide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 109919-26-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Amino-3-bromo-5-chlorobenzotrifluoride - Not listed by ACGIH, IARC, or NTP.

---

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
No information available.
IMO
No information available.
RID/ADR
No information available.

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
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.
WGK (Water Danger/Protection)
CAS# 109919-26-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 109919-26-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 109919-26-8 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：

  2-溴-6-氯-4-(三氟甲基)苯胺 在 N,N-二异丙基乙胺 硫酸 、 三乙酰氧基硼氢化钠 、 二异丁基氢化铝 、 potassium carbonate 、 溶剂黄146 、 sodium nitrite 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 、 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 8.75h， 生成 ethyl 3-(5-(3-chloro-2-(((2',4'-dichloro-[1,1'-biphenyl]-4-yl)amino)methyl)-5-(trifluoromethyl)phenyl)picolinamido)propanoate
  参考文献：
  名称：

  PICOLINAMIDO-PROPANOIC ACID DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS

  摘要：

  本发明涉及吡咯烷酰基丙酸衍生物，含有它们的药物组合物以及它们在治疗和/或预防通过拮抗一个或多个胰高血糖素受体而改善的疾病和症状中的用途，包括例如代谢性疾病，如2型糖尿病和肥胖症。

  公开号：

  US20120302610A1
• 作为产物：
  描述：

  3-氯-4-氨基三氟甲苯 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 乙腈 为溶剂， 以89.02 %的产率得到2-溴-6-氯-4-(三氟甲基)苯胺
  参考文献：
  名称：

  一种杂环化合物及其在医药上的应用

  摘要：

  涉及通式（I）所示杂环化合物，或者其立体异构体、氘代物、药学上可接受的盐、溶剂化物、前药、代谢产物或共晶，还涉及其药物组合物以及它们在用于治疗MRGPRX4依赖性病症的药物中的用途。

  公开号：

  WO2024149242A1

文献信息

• The Suzuki–Miyaura Cross‐Coupling as the Key Step in the Synthesis of 2‐Aminobiphenyls and 2,2'‐Diaminobiphenyls: Application in the Synthesis of Schiff Base Complexes of Zn
  作者：Knut Tormodssønn Hylland、Sigurd Øien‐Ødegaard、Mats Tilset

  DOI：10.1002/ejoc.202000599

  日期：2020.7.23

  The Suzuki–Miyaura reaction is used as a key step for the synthesis of 2‐aminobiphenyls and 2,2'‐diaminobiphenyls, which in turn can be utilized to make Schiff base complexes of Zn. Special emphasis is on the cross‐coupling reaction between 2‐bromoanilines and a 2‐nitro‐substituted arylboronic acid, for which there is little existing precedence.

  Suzuki-Miyaura反应被用作合成2-氨基联苯和2,2'-二氨基联苯的关键步骤，而这些反过来又可用于制备Zn的席夫碱配合物。特别强调的是2-溴苯胺与2-硝基取代的芳基硼酸之间的交叉偶联反应，目前尚无此类研究。
• [EN] OGA INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS D'OGA
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2019243533A1

  公开（公告）日：2019-12-26

  The present invention relates to O-GIcNAc hydrolase (OGA) inhibitors. The invention is also directed to pharmaceutical compositions comprising such compounds, to processes for preparing such compounds and compositions, and to the use of such compounds and compositions for the prevention and treatment of disorders in which inhibition of OGA is beneficial, such as tauopathies, in particular Alzheimer's disease or progressive supranuclear palsy; and neurodegenerative diseases accompanied by a tau pathology, in particular amyotrophic lateral sclerosis or frontotemporal lobe dementia caused by C90RF72 mutations.

  本发明涉及O-GlcNAc水解酶（OGA）抑制剂。该发明还涉及包含这种化合物的药物组合物，制备这种化合物和组合物的方法，以及利用这种化合物和组合物预防和治疗抑制OGA有益的疾病，如tau病变，特别是阿尔茨海默病或进行性上核性麻痹症；以及伴有tau病理的神经退行性疾病，特别是由C90RF72突变引起的肌萎缩侧索硬化或颞叶前叶痴呆症。
• CETP inhibitors
  申请人：Ali Amjad

  公开号：US20060040999A1

  公开（公告）日：2006-02-23

  Compounds having the structures of Formula I, including pharmaceutically acceptable salts of the compounds, are CETP inhibitors, and are useful for raising HDL-cholesterol, reducing LDL-cholesterol, and for treating or preventing atherosclerosis: In the compounds of Formula I, B or R 2 is a phenyl group which has an ortho aryl, heterocyclic, benzoheterocyclic or benzocycloalkyl substituent, and one other position on the 5-membered ring has an aromatic, heterocyclic, cycloalkyl, benzoheterocyclic or benzocycloalkyl substituent connected directly to the ring or attached to the ring through a —CH 2 —.

  具有I式结构的化合物，包括该化合物的药学可接受的盐，是CETP抑制剂，可用于提高高密度脂蛋白胆固醇，降低低密度脂蛋白胆固醇，以及治疗或预防动脉粥样硬化：在I式化合物中，B或R2是具有正交芳基，杂环，苯并杂环或苯并环烷基取代基的苯基取代基，并且5元环上的另一个位置具有芳香，杂环，环烷基，苯并杂环或苯并环烷基取代基，直接连接到环或通过—CH2—连接到环。
• Cetp Inhibitors
  申请人：Ali Amjad

  公开号：US20080119476A1

  公开（公告）日：2008-05-22

  Compounds having the structures of Formula I, including pharmaceutically acceptable salts of the compounds, are CETP inhibitors, and are useful for raising HDL-cholesterol, reducing LDL-cholesterol, and for treating or preventing atherosclerosis: In the compounds of Formula I, B or R 2 is a phenyl group which has an ortho aryl, heterocyclic, benzoheterocyclic or benzocycloalkyl substituent, and one other position on the 5-membered ring has an aromatic, heterocyclic, cycloalkyl, benzoheterocyclic or benzocycloalkyl substituent connected directly to the ring or attached to the ring through a —CH 2 —.

  具有公式I结构的化合物，包括化合物的药物可接受的盐，是CETP抑制剂，可用于提高HDL-胆固醇，降低LDL-胆固醇，以及治疗或预防动脉粥样硬化。在公式I的化合物中，B或R2是具有正交芳基，杂环，苯并杂环或苯并环烷基取代基的苯基基团，5元环上的另一个位置具有芳基，杂环，环烷基，苯并杂环或苯并环烷基取代基，直接连接到环或通过-CH2-附加到环上。
• CETP INHIBITORS
  申请人：ALI Amjad

  公开号：US20100099716A1

  公开（公告）日：2010-04-22

  Compounds having the structures of Formula I, including pharmaceutically acceptable salts of the compounds, are CETP inhibitors, and are useful for raising HDL-cholesterol, reducing LDL-cholesterol, and for treating or preventing atherosclerosis: In the compounds of Formula I, B or R 2 is a phenyl group which has an ortho aryl, heterocyclic, benzoheterocyclic or benzocycloalkyl substituent, and one other position on the 5-membered ring has an aromatic, heterocyclic, cycloalkyl, benzoheterocyclic or benzocycloalkyl substituent connected directly to the ring or attached to the ring through a —CH 2 —.

  具有I式结构的化合物，包括该化合物的药物可接受的盐，是CETP抑制剂，可用于提高HDL胆固醇，降低LDL胆固醇，并用于治疗或预防动脉粥样硬化。在I式化合物中，B或R2是具有正交芳香族，杂环，苯并杂环或苯并环烷基取代基的苯基，而5元环上的另一个位置具有直接连接到环或通过-CH2-连接到环的芳香族，杂环，环烷基，苯并杂环或苯并环烷基取代基。

表征谱图