2,3,5-三氟溴苯 | 133739-70-5

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 烃类卤化物
• 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: 2,3,5-三氟溴苯
• 中文别名: 1-溴-2,3,5-三氟苯
• 英文名称: 1-bromo-2,3,5-trifluoro-benzene
• 英文别名: 2,3,5-trifluorobromobenzene；1-Bromo-2,3,5-trifluorobenzene
• CAS: 133739-70-5
• 化学式: C₆H₂BrF₃
• mdl: MFCD00012232
• 分子量: 210.981
• InChiKey: XSMLLZPSNLQCQU-UHFFFAOYSA-N

物化性质

• 沸点：
  143℃
• 密度：
  1.758 g/mL at 25 °C(lit.)
• 闪点：
  89 °F
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解，没有已知危险反应。请避免接触氧化剂。

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  3
• 危险品标志：
  Xi
• 安全说明：
  S16,S26,S36/37/39
• 危险类别码：
  R10,R36/37/38
• WGK Germany：
  3
• 危险品运输编号：
  UN 1993 3/PG 3
• 海关编码：
  2903999090
• 包装等级：
  III
• 危险类别：
  3
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H225,H315,H319,H335
• 储存条件：
  请将贮藏器密封保存，并将其存放在阴凉、干燥处。同时，确保工作环境有良好的通风或排气设施。

SDS

1-Bromo-2,3,5-trifluorobenzene Revision number: 1
SAFETY DATA SHEET

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Section 1. BASE INFORMATION
Product name: 1-Bromo-2,3,5-trifluorobenzene

Revision number: 1

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Section 2. HAZARDS IDENTIFICATION
Classification of the GHS
PHYSICAL HAZARDS
Flammable liquids Category 3
HEALTH HAZARDS
Skin corrosion/irritation Category 2
Category 2A
Serious eye damage/eye irritation
ENVIRONMENTAL HAZARDS Not classified
GHS label elements
Pictograms or hazard symbols
Signal word Warning
Hazard statement Flammable liquid and vapour
Causes skin irritation
Causes serious eye irritation
Precautionary statements
[Prevention] Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
Keep container tightly closed.
Use explosion-proof electrical/ventilating/lighting equipment. Take precautionary
measures against ignition by the static discharge and the spark.
Wash hands thoroughly after handling.
Wear protective gloves/eye protection/face protection.
[Response] 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.
Take off contaminated clothing and wash before reuse.
[Storage] Store in a well-ventilated place. Keep cool.
[Disposal] Dispose of contents/container through a waste management company authorized by
the local government

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance
Substance/mixture:
1-Bromo-2,3,5-trifluorobenzene

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Component(s): 1-Bromo-2,3,5-trifluorobenzene
Percent: >98.0%(GC)
CAS Number: 133739-70-5
Chemical Formula: C6H2BrF3

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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:
Get medical advice/attention 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.
Eye contact: 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.
Ingestion: Get medical advice/attention if you feel unwell. Rinse mouth.
Protection of first-aiders: A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
media:
Extinguishing media not to Solid streams of water
be used:
Specific hazards: Take care as it may decompose upon combustion or in high temperatures to
generate poisonous fume.
Specific methods: 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.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
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.
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
hazards: case of a fire. Use spark-proof tools and explosion-proof equipment.

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Section 7. HANDLING AND STORAGE
Handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent generation of vapor 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 vapor or aerosol
will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Storage
Storage conditions: Keep container tightly closed. Store in a cool, dark and well-ventilated place.
Store away from incompatible materials such as oxidizing agents.
1-Bromo-2,3,5-trifluorobenzene

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Section 7. HANDLING AND STORAGE
Packaging material: Law is followed.

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

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Liquid
Form: clear
Color: Pale yellow - Yellow
Odor: No data available
pH: No data available
Melting point/freezing point:No data available
Boiling Point/Range: No data available
Flash Point: 32°C
Explosive limits
Lower: No data available
Upper: No data available
Density: 1.79
Solubility: No data available

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Section 10. STABILITY AND REACTIVITY
Stability: Stable under proper conditions.
No special reactivity has been reported.
Reactivity:
Incompartible materials: oxidizing agents
Hazardous Decomposition Carbon monoxide, Carbon dioxide, Hydrogen fluoride, Hydrogen bromide
Products:

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

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
No data available
Crustacea:
Algae: No data available
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobillity in soil
log Pow: No data available
Soil adsorption (Koc): No data available
No data available
Henry's Law
constant(PaM3/mol):
1-Bromo-2,3,5-trifluorobenzene

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

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

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

化学性质：

• 无色透明液体。
• 沸点为144℃，熔点为-19℃，闪点为55℃，折光率为1.4860，比重为1.802。

用途： 主要应用于医药、农药以及液晶材料中间体。

反应信息

• 作为反应物：
  描述：

  2,3,5-三氟溴苯 在 bis(acetato)bis(triphenylphosphine)palladium cesium fluoride 、 联硼酸新戊二醇酯 作用下， 以 乙腈 为溶剂， 反应 2.75h， 以64%的产率得到[6-hydroxy-2-(2,3,5-trifluoro-phenyl)-naphthalen-1-yl]-[4-(2-piperidin-1-yl-ethoxy)phenyl]-methanone
  参考文献：
  名称：

  [EN] SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS
  [FR] MODULATEURS SELECTIFS DU RECEPTEUR DES OESTROGENES POUR LE TRAITEMENT DE SYMPTOMES VASOMOTEURS

  摘要：

  本发明涉及一种公式I或Ia的选择性雌激素受体调节剂：(I) (Ia)；或其药物酸加成盐；用于治疗血管舒缩症状，尤其是热潮红、夜间出汗以及影响绝经前后妇女的其他症状。

  公开号：

  WO2005073204A1
• 作为产物：
  描述：

  4-溴-2,3,6-三氟苯胺 在 硫酸 、 sodium nitrite 、 次磷酸 作用下， 生成 2,3,5-三氟溴苯
  参考文献：
  名称：

  一种2,3,5-三氟溴苯的制备方法

  摘要：

  本发明公开了一种2,3,5‑三氟溴苯的制备方法，包括具体步骤如下：(a)原料处理；(b)溴代反应；(c)重氮化处理；(d)脱氨基处理。本发明高选择性的进行溴化反应，减少了副产物，提高产品的收率；溴素的用量更少，降低生产成本的同时，也减少了环境污染，工艺操作简单，反应条件温和。

  公开号：

  CN107793289A

文献信息

• [EN] CGRP ANTAGONIST COMPOUNDS<br/>[FR] COMPOSÉS ANTAGONISTES DU CGRP
  申请人：HEPTARES THERAPEUTICS LTD

  公开号：WO2020249970A1

  公开（公告）日：2020-12-17

  The disclosures herein relate to novel compounds of Formula (1a): and salts thereof, wherein W, Z, L, R1and R2 are defined herein, and their use in treating, preventing, ameliorating, controlling or reducing the risk of disorders associated with CGRP receptors.

  本公开涉及式（1a）的新化合物及其盐，其中W、Z、L、R1和R2如本文所定义，并其在治疗、预防、改善、控制或减少与CGRP受体相关的疾病风险方面的用途。
• Isothiazole derivatives useful as anticancer agents
  申请人：Pfizer Inc.

  公开号：US06235764B1

  公开（公告）日：2001-05-22

  The present invention relates to compounds of the formula 1 and to pharmaceutically acceptable salts, prodrugs and solvates thereof, wherein X1, R1, R2 and R3 are as defined herein. The invention also relates to pharmaceutical compositions containing the above compounds and to methods treating hyperproliferative disorders in mammals by administering the above compounds.

  本发明涉及式1化合物以及药用可接受的盐、前药和溶剂化物，其中X1，R1，R2和R3按本文定义。本发明还涉及包含上述化合物的药物组合物，以及通过施用上述化合物治疗哺乳动物过度增殖障碍的方法。
• [EN] COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS UTILISABLES POUR LE TRAITEMENT DE TROUBLES À MÉDIATION PAR LE RÉCEPTEUR MÉTABOTROPIQUE 5 AU GLUTAMATE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：SEPRACOR INC

  公开号：WO2010114971A1

  公开（公告）日：2010-10-07

  Provided herein are compounds and methods of synthesis thereof. The compounds provided herein are useful for the treatment, prevention, and/or management of various disorders, such as neurological disorders, psychiatric disorders, neuromuscular disorders, gastrointestinal disorders, lower urinary tract disorder, and cancer. Compounds provided herein modulate the activity of metabotropic glutamate receptor 5 (mGluR5) in the central nervous system or the periphery. Pharmaceutical formulations containing the compounds and their methods of use are also provided herein.

  本文件提供了化合物及其合成方法。本文件提供的化合物可用于治疗、预防和管理各种疾病，如神经系统疾病、精神疾病、神经肌肉疾病、胃肠疾病、下尿路疾病和癌症。本文件提供的化合物可调节中枢神经系统或外周的代谢型谷氨酸受体5（mGluR5）的活性。还提供了含有这些化合物的药物制剂及其使用方法。
• 5-ALKYL PYRROLIDINE OREXIN RECEPTOR AGONISTS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20200255403A1

  公开（公告）日：2020-08-13

  The present invention is directed to 5-alkyl pyrrolidine compounds which are agonists of orexin receptors. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及对促进睡眠素受体的激动剂的5-烷基吡咯烷化合物。本发明还涉及所述化合物在潜在的治疗或预防涉及促进睡眠素受体的神经和精神障碍和疾病中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在的预防或治疗涉及促进睡眠素受体的疾病中的用途。
• Heterocycles for use as inhibitors of leukotrienes
  申请人：Imperial Chemical Industries PLC

  公开号：US05134148A1

  公开（公告）日：1992-07-28

  The invention concerns a heterocycle of the formula I ##STR1## wherein Q is an optionally substituted 6-membered monocyclic or 10-membered bicyclic heterocyclic moiety containing one or two nitrogen atoms; A is (1-6C)alkylene, (3-6C)alkenylene, (3-6C)alkynylene or cyclo(3-6C)alkylene; X is oxy, thio, sulphinyl, sulphonyl or imino; Ar is phenylene which may optionally bear one or two substituents or Ar is an optionally substituted 6-membered heterocyclene moiety containing up to three nitrogen atoms; R.sup.1 is hydrogen, (1-6C)alkyl, (3-6C)alkenyl, (3-6C)alkynyl, cyano-(1-4C)alkyl or (2-4C)alkanoyl, or optionally substituted benzoyl; and R.sup.2 and R.sup.3 together form a group of the formula --A.sup.2 --X.sup.2 --A.sup.3 -- which, together with the carbon atom to which A.sup.2 and A.sup.3 are attached, defines a ring having 4 to 7 ring atoms, wherein A.sup.2 and A.sup.3, which may be the same or different, each is (1-4C)alkylene and X.sup.2 is oxy, thio, sulphinyl, sulphonyl or imino; or a pharmaceutically-acceptable salt thereof. The compounds of the invention are inhibitors of the enzyme 5-lipoxygenase.

  该发明涉及式I的杂环##STR1##其中Q是一个可选择地取代的含有一个或两个氮原子的6元单环或10元双环杂环基团；A是(1-6C)烷基、(3-6C)烯基、(3-6C)炔基或环(3-6C)烷基；X是氧、硫、亚砜基、磺酰基或亚胺基；Ar是苯基，可以选择性地带有一个或两个取代基，或Ar是一个可选择地取代的含有最多三个氮原子的6元杂环基团；R.sup.1是氢、(1-6C)烷基、(3-6C)烯基、(3-6C)炔基、氰基-(1-4C)烷基或(2-4C)烷酰基，或可选择地取代的苯甲酰基；而R.sup.2和R.sup.3一起形成一个式--A.sup.2--X.sup.2--A.sup.3--的基团，与A.sup.2和A.sup.3连接的碳原子一起定义具有4到7个环原子的环，其中A.sup.2和A.sup.3，可以相同也可以不同，每个是(1-4C)烷基，而X.sup.2是氧、硫、亚砜基、磺酰基或亚胺基；或其药学上可接受的盐。该发明的化合物是5-脂氧合酶的抑制剂。

表征谱图