2-氯-4-溴-5-氟甲苯 | 93765-83-4

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟甲苯系列
• 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-氯-4-溴-5-氟甲苯
• 中文别名: 4-溴-2-氯-5-氟甲苯；1-溴-5-氯-2-氟-4-甲基苯
• 英文名称: 1-bromo-5-chloro-2-fluoro-4-methyl-benzene
• 英文别名: 1-bromo-5-chloro-2-fluoro-4-methylbenzene；4-bromo-2-chloro-5-fluorotoluene
• CAS: 93765-83-4
• 化学式: C₇H₅BrClF
• 分子量: 223.472
• InChiKey: GYFUSHKOOPPODA-UHFFFAOYSA-N

物化性质

• 沸点：
  221℃
• 密度：
  1.618
• 闪点：
  88℃

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2903999090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  室温

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 4-Bromo-2-chloro-5-fluorotoluene
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: 4-Bromo-2-chloro-5-fluorotoluene
CAS number: 93765-83-4

---

Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

---

Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

---

Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

---

Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

---

Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

---

Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C7H5BrClF
Molecular weight: 223.5

---

Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, hydrogen chloride, hydrogen fluoride, hydrogen bromide.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

2-氯-4-溴-5-氟甲苯可用作医药合成中间体。若吸入该物质，请立即将患者移至空气新鲜处；如皮肤接触，应脱去污染衣物，并用肥皂水和清水彻底清洗；如有不适，请就医；如眼睛接触到此物质，应翻开眼睑，用流动清水或生理盐水冲洗，并立即就医；如误食，则应立即漱口，禁止催吐，并尽快就医。

反应信息

• 作为反应物：
  描述：

  2-氯-4-溴-5-氟甲苯 在 N-溴代丁二酰亚胺(NBS) 、 四丁基氟化铵 、 过氧化苯甲酰 作用下， 以 乙腈 为溶剂， 反应 13.0h， 生成 2-(4-bromo-2-chloro-5-fluorophenyl)acetonitrile
  参考文献：
  名称：

  [EN] COMPOUNDS THAT MEDIATE PROTEIN DEGRADATION AND USES THEREOF
  [FR] COMPOSÉS QUI ASSURENT LA MÉDIATION DE LA DÉGRADATION DE PROTÉINES ET LEURS UTILISATIONS

  摘要：

  Described herein, in part, are compounds that bind to and modulate the surface of cereblon and mediate the degradation of GSPT1, and are therefore useful in the treatment of various disorders, such as cancer.

  公开号：

  WO2023069708A1

文献信息

• [EN] TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS<br/>[FR] TRIAZA-SPIRODÉCANONES UTILISÉES EN TANT QU'INHIBITEURS DE DDR1
  申请人：HOFFMANN LA ROCHE

  公开号：WO2017005583A1

  公开（公告）日：2017-01-12

  The present invention relates to compounds of formula (I) or pharmaceutically acceptable salts thereof, wherein L and R1 to R5 are as described herein, as well as processes for their manufacture, pharmaceutical compositions comprising them, and their use as medicaments.

  本发明涉及式(I)的化合物或其药用盐，其中L和R1至R5如本文所述，以及它们的制备方法、包含它们的药物组合物，以及它们作为药物的用途。
• [EN] THERAPEUTIC INHIBITORY COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS THÉRAPEUTIQUES
  申请人：LIFESCI PHARMACEUTICALS INC

  公开号：WO2015103317A1

  公开（公告）日：2015-07-09

  The invention provides compounds of Formula I and Formula II: A-B-C-D-E-F-G-J (I) C-D-E-F-G-J (II) wherein A, B, C, D, E, F, G, and J have any of the values defined in the specification, and salts thereof. The compounds are useful for inhibiting plasma kallikrein, and for treating a disease or condition in an animal where inhibition of plasma kallikrein is indicated.

  该发明提供了Formula I和Formula II的化合物：A-B-C-D-E-F-G-J (I)和C-D-E-F-G-J (II)，其中A、B、C、D、E、F、G和J具有规范中定义的任何值，以及它们的盐。这些化合物对抑制血浆激肽酶和治疗动物中需要抑制血浆激肽酶的疾病或症状是有用的。
• Chemical Compounds
  申请人：Bell Andrew Simon

  公开号：US20120010183A1

  公开（公告）日：2012-01-12

  The invention relates to sulfonamide derivatives, to their use in medicine, to compositions containing them, to processes for their preparation and to intermediates used in such processes. More particularly the invention relates to a new sulfonamide Nav1.7 inhibitors of formula (I): or a pharmaceutically acceptable salt thereof, wherein Het 1 , X, R 1 , R 2 , R 3 , R 4 and R 5 are as defined in the description. Nav 1.7 inhibitors are potentially useful in the treatment of a wide range of disorders, particularly pain.

  这项发明涉及磺胺类衍生物，其在医学上的应用，包含它们的组合物，其制备过程以及在这些过程中使用的中间体。更具体地，该发明涉及一种新的磺胺类Nav1.7抑制剂，化学式为(I)：或其药学上可接受的盐，其中Het1、X、R1、R2、R3、R4和R5如描述中所定义。Nav 1.7抑制剂在治疗各种疾病，特别是疼痛方面具有潜在的用途。
• N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF
  申请人：XENON PHARMACEUTICALS INC.

  公开号：US20130317000A1

  公开（公告）日：2013-11-28

  The invention provides novel compounds having the general formula: and pharmaceutically acceptable salts thereof, wherein the variables R A , subscript n, ring A, X 2 , L, subscript m, X 1 , B, R 1 , R 2 , R 3 , R 4 , R 5 and R N have the meaning as described herein, and compositions containing such compounds and methods for using such compounds and compositions.

  该发明提供了具有一般公式的新化合物：及其药用盐，其中变量RA、下标n、环A、X2、L、下标m、X1、B、R1、R2、R3、R4、R5和RN的含义如本文所述，并含有这种化合物和使用这种化合物和组合物的方法。
• [EN] SUBSTRATE ADAPTOR INHIBITORS OF PRMT5 AND USES THEREOF<br/>[FR] INHIBITEURS D'ADAPTATEUR DE SUBSTRAT DE PRMT5 ET LEURS UTILISATIONS
  申请人：BROAD INST INC

  公开号：WO2022032144A1

  公开（公告）日：2022-02-10

  Provided herein are compounds that modulate PRTM5 activity. The compounds may inhibit the binding PRMT5 with a PRMT5 substrate adaptor. The compounds can modulate PRMT5 methyltransferase activity, modulate transcription of a gene regulated by PRMT5, modulate chromatin structure regulation, modulate cellular differentiation, and/or modulate mRNA splicing, e.g., by disrupting binding of PRMT5 with a PRMT5 substrate adaptor. Also provided are pharmaceutical compositions comprising the compounds, methods of modulating PRTM5 activity, and methods of treating disease (e.g., cancer) in a subject by administering a compound or composition described herein.

  本文提供了调节PRTM5活性的化合物。这些化合物可以抑制PRMT5与PRMT5底物适配器的结合。这些化合物可以调节PRMT5甲基转移酶活性，调节PRMT5调控的基因的转录，调节染色质结构调节，调节细胞分化，以及/或通过破坏PRMT5与PRMT5底物适配器的结合来调节mRNA剪接。此外，还提供了包含这些化合物的制药组合物，调节PRTM5活性的方法，以及通过给予本文所述的化合物或组合物治疗疾病（例如癌症）的方法。