2-氯-5-碘苯酚 | 289039-26-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2-氯-5-碘苯酚
• 英文名称: 2-chloro-5-iodophenol
• 英文别名: 2-chloro-5-iodo-phenol；6-Chlor-3-jod-1-hydroxy-benzol；2-Chlor-5-jod-phenol
• CAS: 289039-26-5
• 化学式: C₆H₄ClIO
• 分子量: 254.455
• InChiKey: NNZXUSFOILSDCS-UHFFFAOYSA-N

物化性质

• 熔点：
  56.5 °C
• 沸点：
  277.6±25.0 °C(Predicted)
• 密度：
  2.087±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  9
• 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：
  20.2
• 氢给体数：
  1
• 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：
  R20/21/22,R36/37/38
• 海关编码：
  2908199090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Chloro-5-iodophenol
Synonyms:

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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-Chloro-5-iodophenol
CAS number: 289039-26-5

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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, refrigerated.
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: C6H4ClIO
Molecular weight: 254.5

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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 Iodide.

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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-氯-5-碘苯酚 在 溴 、 溶剂黄146 作用下， 反应 0.67h， 生成 4-bromo-2-chloro-5-iodophenol
  参考文献：
  名称：

  [EN] COMPOUNDS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION
  [FR] COMPOSÉS POUR TRAITER UNE INFECTION PAR LE VIRUS DE L'HÉPATITE B

  摘要：

  本公开涉及一般与化合物和药物组合物有关，这些化合物和药物组合物可用于治疗乙型肝炎病毒感染的方法。

  公开号：

  WO2018144605A1
• 作为产物：
  描述：

  2-氯-5-碘苯甲醚 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 72.0h， 以87%的产率得到2-氯-5-碘苯酚
  参考文献：
  名称：

  PYRROLE DERIVATIVE

  摘要：

  公开号：

  EP1386913B1

文献信息

• SUBSTITUTED HETEROCYCLES AS ANTIVIRAL AGENTS
  申请人：Enanta Pharmaceuticals, Inc.

  公开号：US20190224188A1

  公开（公告）日：2019-07-25

  The present invention discloses compounds of Formula (I), and pharmaceutically acceptable salts thereof: which inhibit the protein(s) encoded by hepatitis B virus (HBV) or interfere with the function of the HBV life cycle of the hepatitis B virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HBV infection. The invention also relates to methods of treating an HBV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明公开了式(I)的化合物及其药学上可接受的盐： 这些化合物抑制由乙型肝炎病毒（HBV）编码的蛋白质或干扰乙型肝炎病毒的生命周期功能，并且还可用作抗病毒剂。本发明还涉及包括上述化合物的药物组合物，用于治疗患有HBV感染的受试者。该发明还涉及通过给予包含本发明化合物的药物组合物来治疗受试者的HBV感染的方法。
• [EN] COMPOUNDS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION<br/>[FR] COMPOSÉS POUR LE TRAITEMENT D'UNE INFECTION PAR LE VIRUS DE L'HÉPATITE B
  申请人：GILEAD SCIENCES INC

  公开号：WO2017205115A1

  公开（公告）日：2017-11-30

  The present disclosure generally relates to compounds and pharmaceutical compositions which may be used in methods of treating a hepatitis B virus infection.

  本公开涉及一般与化合物和药物组合物有关，这些化合物和药物组合物可用于治疗乙型肝炎病毒感染的方法。
• Trifunctionalization of Aryl Iodides with Two Distinct Nitrogen and Carbon Electrophiles by Palladium/Norbornene Catalysis
  作者：Jing Wang、Hui Wang、Zihan Wang、Linqiang Li、Cheng Qin、Xinjun Luan

  DOI：10.1002/cjoc.202100467

  日期：2021.10

  highly chemo- and regioselective vicinal trifunctionalization of aryl iodides by palladium/norbornene (Pd/NBE) catalysis. The key feature of this new method is the introduction of two distinct nitrogen and carbon electrophiles, with a large gap in reactivity, for ortho-unsubstituted aryl iodides via an intermolecular and intramolecular C―H functionalization, respectively. Eight types of ipso terminations

  在此，我们报告了通过钯/降冰片烯 (Pd/NBE) 催化对芳基碘化物进行高度化学和区域选择性的邻位三官能化。这种新方法的关键特征是引入了两个不同的氮和碳亲电子的，在反应性有很大的差距，对邻-未被取代的芳基碘经由分别的分子内和分子CA€•ħ官能化，。八种类型的本位终端可以与两个邻位-amination和邻烷基化，得到多种多取代的苯并杂环支架。硅系衬底可以通过以下方式产生多官能芳烃单步操作。值得注意的是，这些产品表现出具有大斯托克斯位移的全色可调强荧光发射，并且产品 7r 可以作为荧光探针来特异性靶向活细胞中的溶酶体。
• 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS
  申请人：Altenburger Jean-Michel

  公开号：US20090318473A1

  公开（公告）日：2009-12-24

  The present invention relates to derivatives of 5,6-bisaryl-2-pyridine-carboxamide, their preparation and their application in therapeutics as antagonists of urotensin II receptors.

  本发明涉及5,6-双芳基-2-吡啶甲酰胺衍生物，其制备以及其作为尿苷Ⅱ受体拮抗剂在治疗学中的应用。
• [EN] HETEROARYL COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF<br/>[FR] COMPOSÉS HÉTÉROARYLES ET LEURS APPLICATIONS PHARMACEUTIQUES
  申请人：SUNSHINE LAKE PHARMA CO LTD

  公开号：WO2016000615A1

  公开（公告）日：2016-01-07

  The present invention provides herein is a heteroaryl compound or a stereoisomer, a geometric isomer, a tautomer, a racemate, an N-oxide, a hydrate, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof, as well as a pharmaceutical composition containing the compound disclosed herein. The present invention also provides herein is use of the compound or the pharmaceutical composition thereof disclosed herein in the manufacture of a medicine for treating autoimmune diseases or proliferative diseases.

  本发明提供的是一种杂环芳基化合物或其立体异构体、几何异构体、互变异构体、消旋体、N-氧化物、水合物、溶剂合物、代谢物、药学上可接受的盐或其前药，以及含有本文所披露的化合物的药物组合物。本发明还提供的是使用本文所披露的化合物或其药物组合物制造用于治疗自身免疫疾病或增殖性疾病的药物。