2-溴-6-氯苯甲醚 | 174913-10-1

• 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 - 苯酚醚
• 中文名称: 2-溴-6-氯苯甲醚
• 英文名称: 1-bromo-3-chloro-2-methoxybenzene
• 英文别名: 2-Bromo-6-chloroanisole
• CAS: 174913-10-1
• 化学式: C₇H₆BrClO
• 分子量: 221.481
• InChiKey: NWOYYECMNBWCNK-UHFFFAOYSA-N

物化性质

• 沸点：
  235.8±20.0 °C(Predicted)
• 密度：
  1.564±0.06 g/cm3(Predicted)
• 保留指数：
  1245

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2909309090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  存放于室温、干燥且密封的环境中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Bromo-6-chloroanisole
Synonyms: 1-Bromo-3-chloro-2-methoxybenzene

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

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Section 3. Composition/information on ingredients.
Ingredient name: 2-Bromo-6-chloroanisole
CAS number: 174913-10-1

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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.

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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.

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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:

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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.

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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: C7H6BrClO
Molecular weight: 221.5

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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 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.

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-溴-6-氯苯甲醚 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 N-溴代丁二酰亚胺(NBS) 、 potassium carbonate 、 过氧化苯甲酰 作用下， 以 1,4-二氧六环 、 四氯化碳 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 15.5h， 生成 2,6-dimethoxy-4-((2-methoxy-[1,1'-biphenyl]-3-yl)methoxy)benzaldehyde
  参考文献：
  名称：

  苯醚类衍生物及可药用盐、医药上的用途

  摘要：

  本发明涉及药物化学领域，本发明公开了在治疗与PD‑1/PD‑L1信号通路有关的疾病如癌症、感染性疾病、白身免疫性疾病方面的作用的化合物(I)，可药用盐及其在医药上的用途。

  公开号：

  CN109305934A
• 作为产物：
  描述：

  3-chloro-4-iodo-2-methoxyaniline 、 3-氯邻茴香胺 在 氢溴酸 、 sodium nitrite 、 copper(I) bromide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 0.5h， 生成 2-溴-6-氯苯甲醚 、 1-bromo-3-chloro-4-iodo-2-methoxybenzene
  参考文献：
  名称：

  6-(Poly-substituted aryl)-4-aminopicolinates and their use as herbicides

  摘要：

  在6位具有三取代和四取代芳基取代基的4-氨基吡啶酸及其胺和酸衍生物是一类高效除草剂，展示出广泛的杂草控制谱。

  公开号：

  US20070179060A1

文献信息

• Steroid receptor modulator compounds and methods
  申请人：Ligand Pharmaceuticals Incorporated

  公开号：US05688808A1

  公开（公告）日：1997-11-18

  Non-steroidal compounds which are high affinity, high selectivity modulators for steroid receptors are disclosed. Also disclosed are pharmaceutical compositions incorporating such compounds, methods for employing the disclosed compounds and compositions for treating patients requiring steroid receptor agonist or antagonist therapy, intermediates useful in the preparation of the compounds and processes for the preparation of the steroid receptor modulator compounds.

  披露了对类固醇受体具有高亲和力、高选择性调节剂的非类固醇化合物。还披露了包含这些化合物的药物组合物、使用所披露的化合物和组合物治疗需要类固醇受体激动剂或拮抗剂治疗的患者的方法，以及在制备这些化合物中有用的中间体和制备类固醇受体调节剂化合物的过程。
• 신규한 헤테로고리 화합물 및 이를 포함하는 유기발광 소자
  申请人：LG CHEM, LTD. 주식회사 엘지화학(120010134563) Corp. No ▼ 110111-2207995BRN ▼107-81-98139

  公开号：KR20180010165A

  公开（公告）日：2018-01-30

  본 발명은 신규한 헤테로고리 화합물 및 이를 포함하는 유기발광 소자를 제공한다.

  这项发明提供了一种新型的杂环化合物以及包含该化合物的有机发光器件。
• 화합물 및 이를 포함하는 유기 발광 소자
  申请人：LG CHEM, LTD. 주식회사 엘지화학(120010134563) Corp. No ▼ 110111-2207995BRN ▼107-81-98139

  公开号：KR20200038876A

  公开（公告）日：2020-04-14

  본 명세서는 화학식 1의 화합물 및 이를 포함한 유기 발광 소자를 제공한다.

  这份规范提供了化学式1的化合物以及包含该化合物的有机发光器件。
• KRAS G12C INHIBITORS
  申请人：Mirati Therapeutics, Inc.

  公开号：US20190144444A1

  公开（公告）日：2019-05-16

  The present invention relates to compounds that inhibit KRas G12C. In particular, the present invention relates to compounds that irreversibly inhibit the activity of KRas G12C, pharmaceutical compositions comprising the compounds and methods of use therefor.

  本发明涉及抑制KRas G12C的化合物。特别地，本发明涉及不可逆抑制KRas G12C活性的化合物、包含这些化合物的药物组合物及其使用方法。
• NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME
  申请人：LG CHEM, LTD.

  公开号：US20210230182A1

  公开（公告）日：2021-07-29

  A novel compound of the following Chemical Formula 1, and an organic light emitting device comprising the same.

  以下是Chemical Formula 1的新化合物，以及包含该化合物的有机发光器件。