3-溴-4-氟苯磺酰氯 | 631912-19-1

• 物质功能分类: 化学试剂 - 有机试剂 - 酰卤
• 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: 3-溴-4-氟苯磺酰氯
• 英文名称: 3-bromo-4-fluorobenzenesulfonyl chloride
• 英文别名: 3-bromo-4-fluorobenzene-1-sulfonyl chloride
• CAS: 631912-19-1
• 化学式: C₆H₃BrClFO₂S
• mdl: MFCD13185363
• 分子量: 273.51
• InChiKey: BEEHKBVVTWJSRH-UHFFFAOYSA-N

物化性质

• 沸点：
  319.8±27.0 °C(Predicted)
• 密度：
  1.867±0.06 g/cm3 (20 ºC 760 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  8
• 海关编码：
  2904909090
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P261,P280,P305+P351+P338,P310
• 危险品运输编号：
  3261
• 危险性描述：
  H302+H312,H314,H335
• 储存条件：
  2-8℃

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 3-Bromo-4-fluorobenzenesulfonyl chloride
Synonyms:

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 3-Bromo-4-fluorobenzenesulfonyl chloride
CAS number: 631912-19-1

---

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, refrigerated.
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: C6H3BrClFO2S
Molecular weight: 273.5

---

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,
sulfur oxides.

---

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

用途

3-溴-4-氟苯磺酰氯是一种常用的磺化试剂，可用于制备磺酰胺、磺化酯和砜。它广泛应用于杀虫剂、染料以及制药工业中。

反应信息

• 作为反应物：
  描述：

  3-溴-4-氟苯磺酰氯 在 ammonium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以99%的产率得到3-bromo-4-fluorobenzenesulfonamide
  参考文献：
  名称：

  [EN] TEAD DEGRADERS AND USES THEREOF
  [FR] AGENTS DE DÉGRADATION DE TEAD ET LEURS UTILISATIONS

  摘要：

  本发明提供化合物，其组成物以及使用它们的方法。

  公开号：

  WO2022120355A1
• 作为产物：
  描述：

  盐酸 、 3-溴-4-氟苯胺 、 叔丁基硝酸酯 、 二氧化硫 在 无水氯化铜 SiO2 作用下， 以 methanol-dichloromethane 为溶剂， 反应 0.38h， 以to yield the title compound (1.9 g, 59%)的产率得到3-溴-4-氟苯磺酰氯
  参考文献：
  名称：

  Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions

  摘要：

  本发明公开了一种治疗受经典途径补体级联介导的急性或慢性疾病症状的方法，该方法包括向需要此类治疗的哺乳动物投与化合物I式或其溶剂化物、水合物或其药学上可接受的盐的治疗有效量；其中，在规范中定义了R1、R2、R3、R4和R7，Z为SO或SO2，Ar为如此处所定义的芳香或杂芳基。

  公开号：

  US20050234081A1

文献信息

• [EN] BENZOSULFONYL COMPOUNDS<br/>[FR] COMPOSÉS DE BENZOSULFONYLE
  申请人：VIVACE THERAPEUTICS INC

  公开号：WO2019040380A1

  公开（公告）日：2019-02-28

  Provided herein are compounds and pharmaceutical compositions comprising said compounds that are useful for treating cancers. Specific cancers include those that are mediated by YAP/TAZ or those that are modulated by the interaction between YAP/TAZ and TEAD.

  本文提供了包含所述化合物的用于治疗癌症的药物组合物。具体的癌症包括那些由YAP/TAZ介导或由YAP/TAZ与TEAD相互作用调节的癌症。
• [EN] NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS<br/>[FR] NOUVELLES AMIDINES DE THIOPHENE, COMPOSITIONS DE CES AMIDINES ET PROCEDE POUR TRAITER DES MALADIES ET DES ETATS MEDIES PAR LE COMPLEMENT
  申请人：DIMENSIONAL PHARM INC

  公开号：WO2003099805A1

  公开（公告）日：2003-12-04

  Disclosed is a method for treating the symptoms of an acute or chronic disorder mediated by the classical pathway of the complement cascade, comprising administering to a mammal in need of such treatment a therapeutically effective amount of a compound of Formula (I) or a solvate, hydrate or pharmaceutically acceptable salt thereof; wherein R1, R2, R3, R4 and R7 are defined in the specification, Z is SO or SO2, and Ar is an aromatic or heteroaromatic group as defined herein.

  揭示了一种治疗急性或慢性疾病症状的方法，该方法通过补体级联的经典途径介导，包括向需要此类治疗的哺乳动物施用化合物I的治疗有效量或其溶剂化合物、水合物或药用可接受盐；其中规范中定义了R1、R2、R3、R4和R7，Z为SO或SO2，Ar为本规范中定义的芳香族或杂环芳基。
• BROMODOMAIN INHIBITORS
  申请人：Quanticel Pharmaceuticals

  公开号：US20150111885A1

  公开（公告）日：2015-04-23

  The present invention relates to substituted heterocyclic derivative compounds, compositions comprising said compounds, and the use of said compounds and compositions for epigenetic regulation by inhibition of bromodomain-mediated recognition of acetyl lysine regions of proteins, such as histones. Said compositions and methods are useful for the treatment of cancer and neoplastic disease.

  本发明涉及替代杂环衍生物化合物，包括所述化合物的组合物，以及通过抑制溴结构域介导的蛋白质乙酰赖氨酸区域的识别来进行表观遗传调控的所述化合物和组合物的用途。所述组合物和方法对于癌症和肿瘤性疾病的治疗是有用的。
• Palladium-catalyzed desulfitative C-arylation of a benzo[d]oxazole C–H bond with arene sulfonyl chlorides
  作者：Manli Zhang、Shouhui Zhang、Miaochang Liu、Jiang Cheng

  DOI：10.1039/c1cc14718h

  日期：——

  A palladium-catalyzed direct desulfitative C-arylation of a benzo[d]oxazole C-H bond with arene sulfonyl chlorides is described. The procedure tolerates halo, cyano, nitro, trifluoromethyl, acetyl and acetylamino groups on the phenyl ring of sulfonyl chlorides, providing the arylation products in moderate to good yields. It represents a practical and attractive alternative for the synthesis of 2-aryl

  描述了苯并[d]恶唑CH键与芳烃磺酰氯的钯催化的直接脱硫C-芳基化。该方法容许磺酰氯苯环上的卤素，氰基，硝基，三氟甲基，乙酰基和乙酰氨基基团，以中等至良好的产率提供芳基化产物。它代表了合成2-芳基苯并恶唑的实用且有吸引力的替代方法。
• [EN] TEAD INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE TEAD ET LEURS UTILISATIONS
  申请人：IKENA ONCOLOGY INC

  公开号：WO2020243423A1

  公开（公告）日：2020-12-03

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用它们的方法。