2-氯-6-硝基苯甲醚 | 80866-77-9

• 物质功能分类: 有机原料 - 醚类化合物及其衍生物
• 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-6-硝基苯甲醚
• 英文名称: 1-chloro-2-methoxy-3-nitro-benzene
• 英文别名: 1-chloro-2-methoxy-3-nitrobenzene；2-chloro-6-nitro-anisole；2-Chlor-6-nitro-anisol；6-Chlor-2-nitro-1-methoxy-benzol；Methyl-(6-chlor-2-nitro-phenyl)-aether；2-Chloro-6-nitroanisole
• CAS: 80866-77-9
• 化学式: C₇H₆ClNO₃
• mdl: MFCD00065066
• 分子量: 187.583
• InChiKey: MSBUQNLLSANFDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  3

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：
  2909309090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Chloro-6-nitroanisole
Synonyms: 1-Chloro-2-methoxy-3-nitrobenzene

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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-6-nitroanisole
CAS number: 80866-77-9

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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: C7H6ClNO3
Molecular weight: 187.6

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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, nitrogen oxides, hydrogen chloride.

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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-6-硝基苯甲醚 在 1% platinum on charcoal 、 氢气 作用下， 以 甲苯 为溶剂， 40.0 ℃ 、450.01 kPa 条件下， 反应 18.0h， 生成 3-氯邻茴香胺
  参考文献：
  名称：

  一种2-氯-6-氟苯甲醚及其中间体的制备方法

  摘要：

  本发明公开了一种2-氯-6-氟苯甲醚及其中间体的制备方法。本发明公开的2-氯-6-氟苯甲醚的制备方法，包含下列步骤：在100～150℃的条件下，将如式V所示的化合物进行裂解反应。本发明公开的如式III所示的化合物的制备方法，包含下列步骤：溶剂中，在铂碳的催化下，将如式II所示的化合物与氢气进行还原反应，制得如式III所示的化合物。本发明公开的如式II所示的化合物的制备方法，包含下列步骤：溶剂中，在催化剂的作用下，将如式I所示的化合物与甲醇钠进行如下所示的醚化反应，制得如式II所示的化合物。本发明的制备方法原料廉价易得、生产成本低、反应条件温和、收率高以及更适用于工业化生产。

  公开号：

  CN103787846B
• 作为产物：
  描述：

  二硝基苯胺 在 甲醇 、 硫酸 、 sodium nitrite 作用下， 生成 2-氯-6-硝基苯甲醚
  参考文献：
  名称：

  Holleman; ter Weel, Recueil des Travaux Chimiques des Pays-Bas, 1916, vol. 35, p. 50,55

  摘要：

  DOI：

文献信息

• [EN] (AZA)INDOLE-, BENZOTHIOPHENE-, AND BENZOFURAN-3-SULFONAMIDES<br/>[FR] (AZA)INDOLE, BENZOTHIOPHÈNE ET BENZOFURAN-3-SULFONAMIDES
  申请人：UCB PHARMA GMBH

  公开号：WO2018122232A1

  公开（公告）日：2018-07-05

  Disclosed are sulfonamide compounds with GPR17 modulating properties, which are useful for treating or preventing a variety of CNS and other diseases, in particular for preventing and treating myelinating diseases or disorders.

  揭示了具有GPR17调节特性的磺胺类化合物，可用于治疗或预防各种中枢神经系统和其他疾病，特别是用于预防和治疗髓鞘疾病或紊乱。
• Novel spla2 inhibitors
  申请人：——

  公开号：US20040092543A1

  公开（公告）日：2004-05-13

  A novel class of tetracyclic compounds is disclosed together with the use of such compounds for inhibiting sPLA2 mediated release of fatty acids for treatment of Inflammatory Diseases such as septic shock.

  一种新型四环化合物类别被揭示，以及利用这类化合物抑制sPLA2介导的脂肪酸释放，用于治疗炎症性疾病，如感染性休克。
• [EN] PYRIMIDINE INHIBITORS OF KINASE ACTIVITY<br/>[FR] INHIBITEURS PYRIMIDINES DE L'ACTIVITÉ KINASE
  申请人：ABBOTT LAB

  公开号：WO2010138576A1

  公开（公告）日：2010-12-02

  The present invention relates to compounds of formula (I) or pharmaceutical acceptable salts or solvates thereof, wherein G1, R2, R3, R4, R5, n, p, q, Ar1, and Ar2 are defined in the description. The present invention relates also to methods of making said compounds, and compositions comprising said compounds which are useful for inhibiting kinases such as IGF-IR.

  本发明涉及式(I)的化合物或其药用可接受的盐或溶剂，其中G1、R2、R3、R4、R5、n、p、q、Ar1和Ar2在描述中有定义。本发明还涉及制备所述化合物的方法，以及包含所述化合物的组合物，用于抑制IGF-IR等激酶。
• Development of Unimolecular Tetrakis(piperidin-4-ol) as a Ligand for Suzuki-Miyaura Cross-Coupling Reactions: Synthesis of Incrustoporin and Preclamol
  作者：Jothi L. Nallasivam、Rodney A. Fernandes

  DOI：10.1002/ejoc.201500353

  日期：2015.6

  cross-coupling reactions under aerobic conditions. Various biaryls, terphenyls, and heterocyclic biphenyls were obtained in good to excellent yields. The ligands were also capable of catalyzing the Heck–Mizoroki reaction. As an application, the Suzuki–Miyaura coupling reaction was used in the synthesis of incrustoporin, its analogs, and the drug molecule preclamol.

  多米诺 aza-Cope/aza-Prins 级联反应合成了一类新的 4-羟基哌啶附加单分子、双、三和四单分子化合物，作为有效配体在有氧条件下催化 Suzuki-Miyaura 交叉偶联反应. 以良好到极好的收率获得了各种联芳基、三联苯和杂环联苯。配体还能够催化 Heck-Mizoroki 反应。作为应用，Suzuki-Miyaura 偶联反应用于合成肠壳孔蛋白、其类似物和药物分子 preclamol。
• 艾曲波帕的制备方法
  申请人：孙婷婷

  公开号：CN107915677A

  公开（公告）日：2018-04-17

  本发明公开了艾曲波帕的制备方法，所述艾曲波帕的化学名称为3‑(2Z)‑2‑[1‑(3,4‑二甲苯基)‑3‑甲基‑5‑氧代‑1,5‑二氢‑4H‑吡唑‑4‑亚基]肼基}‑2‑羟基‑3‑联苯基甲酸‑2‑氨基乙醇盐；本发明制备工艺过程简洁，原料易得，经济环保，有利于实现工业化，可促进艾曲波帕原料药的经济技术发展，降低了生产成本，适于大批量生产。