5-氯-1,2-二溴-3-氟苯 | 208186-78-1

• 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 - 苯和取代衍生物
• 中文名称: 5-氯-1,2-二溴-3-氟苯
• 中文别名: 5-氯-2,3-溴-1-氟苯；2,3-二溴-5-氯氟苯；5-氯-2,3-二溴-1-氟苯
• 英文名称: 1,2-dibromo-5-chloro-3-fluorobenzene
• CAS: 208186-78-1
• 化学式: C₆H₂Br₂ClF
• 分子量: 288.341
• InChiKey: XLDRDGJJGGYJCO-UHFFFAOYSA-N

物化性质

• 熔点：
  37-39°C
• 沸点：
  245.3±35.0 °C(Predicted)
• 密度：
  2.089±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  避氧化物

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 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：
  1

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/38
• 安全说明：
  S24/25
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  保存方法：密封、阴凉、干燥处。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
5-Chloro-2,3-dibromo-1-fluorobenzene
Product Name:
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
P280: Wear protective gloves/protective clothing/eye protection/face protection
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P362: Take off contaminated clothing and wash before reuse
P321: Specific treatment (see on this label)
P332+P313: If skin irritation occurs: Get medical advice/attention
P337+P313: If eye irritation persists get medical advice/attention

---

Section 3. Composition/information on ingredients.
5-Chloro-2,3-dibromo-1-fluorobenzene
Ingredient name:
CAS number: 208186-78-1

---

Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

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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.

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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.
Storage: Store in closed vessels.

---

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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C6H2Br2ClF
Molecular weight: 288.3

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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.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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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.

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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

反应信息

• 作为反应物：
  描述：

  5-氯-1,2-二溴-3-氟苯 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 盐酸 、 N-氯代丁二酰亚胺 、 盐酸羟胺 、 异丙基氯化镁 、 potassium carbonate 作用下， 以 四氢呋喃 、 正庚烷 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 异丙醇 为溶剂， 反应 7.0h， 生成 (1R)-1-{5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoropyridin-2-yl}ethanamide
  参考文献：
  名称：

  NEW BIARYL AMIDE DERIVATIVES

  摘要：

  这项发明提供了具有一般式（I）的新化合物，其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12和A如本文所述，包括这些化合物的组合物以及使用这些化合物的方法。

  公开号：

  US20120165338A1
• 作为产物：
  描述：

  2-溴-4-氯-6-氟苯胺 在 nitrosonium tetrafluoroborate 、 copper(ll) bromide 作用下， 以 乙腈 为溶剂， 以91%的产率得到5-氯-1,2-二溴-3-氟苯
  参考文献：
  名称：

  有效的缓激肽1拮抗剂的工艺开发

  摘要：

  作为默克在炎症和疼痛方面持续研究工作的一部分，开发了一种口服生物利用的CNS渗透缓激肽1拮抗剂的安全合成剂，并在千克规模上得到了证明。关键步骤包括使用异丙基氯化镁在1,2-二溴-5-氯-3-氟苯上进行新颖的区域选择性金属-卤素交换反应，以安装1,2,4-恶二唑环结构。高度官能化且空间受阻的亲电试剂与硼酸酯之间的Suzuki交叉偶联反应生成了联芳基环系统，该系统已转化为目标分子（1）使用标准化学方法。1,2,4-恶二唑环的安全安装被证明是具有挑战性的，因为最初的合成路线依赖于使用氰化钾制备高度官能化的苄腈，导致收率低和大量潜在危险废物。总的来说，开发了一种安全而稳定的合成方法，该方法以八个线性步骤进行，总收率为28％。

  DOI：

  10.1021/op8003184

文献信息

• [EN] NEW BIARYL AMIDE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS DE BIARYLAMIDE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2012089601A1

  公开（公告）日：2012-07-05

  The invention provides novel compounds having the general formula (I) wherein R1, R2, R3, R4, R5, R6, R7, R8, R9, R10, R11, R12 and A are as described herein, compositions including the compounds and methods of using the compounds.

  这项发明提供了具有通式（I）的新化合物，其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12和A如本文所述，包括这些化合物的组合物以及使用这些化合物的方法。
• [EN] POLYCYCLIC COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE POLYCYCLIC COMPOUND OR THE COMPOSITION<br/>[FR] COMPOSÉ POLYCYCLIQUE ET DISPOSITIF ÉLECTROLUMINESCENT ORGANIQUE COMPRENANT LE COMPOSÉ POLYCYCLIQUE OU UNE COMPOSITION
  申请人：IDEMITSU KOSAN CO

  公开号：WO2020217229A1

  公开（公告）日：2020-10-29

  Specific polycyclic compounds, a material for an organic electroluminescence device comprising said specific polycyclic compound, an organic electroluminescence device comprising said specific polycyclic compound, an electronic equipment comprising said organic electroluminescence device, a process for preparing said polycyclic compounds, and the use of said polycyclic compounds in an organic electroluminescence. (Formula I) (I)

  特定的多环化合物，一种含有该特定多环化合物的有机电致发光装置材料，一种含有该特定多环化合物的有机电致发光装置，一种包含该有机电致发光装置的电子设备，一种制备所述多环化合物的方法，以及所述多环化合物在有机电致发光中的用途。（公式 I）(I)
• 并环化合物、其药物组合物及应用
  申请人：上海迪诺医药科技有限公司

  公开号：CN107556244B

  公开（公告）日：2021-09-03

  本发明公开了一种并环化合物、其制备方法、药物组合物及应用。本发明的多环化合物(I)、其异构体、前药、稳定的同位素衍生物或药学上可接受的盐具有如下结构。本发明的多环化合物具有良好的IDO1和/或TDO2抑制作用，可以有效治疗、缓解和/或预防与IDO1和/或TDO2相关的各种疾病，例如癌症、病毒感染、或自身免疫类疾病等。
• [EN] COMPOUNDS<br/>[FR] COMPOSÉS
  申请人：CTXT PTY LTD

  公开号：WO2021119753A1

  公开（公告）日：2021-06-24

  This disclosure relates to compounds of formula (I), which are modulators of STING. Also disclosed are pharmaceutical compositions comprising compounds of formula (I) and methods of using compounds of formula (I) in the treatment or prevention of diseases ameliorated by the modulation of STING.

  本公开涉及式(I)的化合物，这些化合物是STING的调节剂。还公开了包含式(I)化合物的药物组合物，以及使用式(I)化合物治疗或预防通过调节STING而改善的疾病的方法。
• NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES
  申请人：Aebi Johannes

  公开号：US20130018055A1

  公开（公告）日：2013-01-17

  The invention provides novel compounds having the general formula (I) wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , R 12 , A 1 , A 2 and n are as described herein, compositions including the compounds and methods of using the compounds.

  该发明提供了具有一般式(I)的新化合物，其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12、A1、A2和n如本文所述，包括该化合物的组合物以及使用该化合物的方法。