1-氯-2-碘-3-硝基苯 | 937601-42-8

• 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: 1-氯-2-碘-3-硝基苯
• 中文别名: 1-氯-3-碘-2-硝基苯
• 英文名称: 1-chloro-3-iodo-2-nitrobenzene
• CAS: 937601-42-8
• 化学式: C₆H₃ClINO₂
• 分子量: 283.453
• InChiKey: WRRLPIZQDPPPJS-UHFFFAOYSA-N

物化性质

• 熔点：
  60-61°C

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  11
• 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：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2904909090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  储存条件：2-8°C，避光干燥。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-Chloro-3-iodo-2-nitrobenzene
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: 1-Chloro-3-iodo-2-nitrobenzene
CAS number: 937601-42-8

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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: C6H3ClINO2
Molecular weight: 283.5

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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, nitrogen oxides, 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：

  1-氯-2-碘-3-硝基苯 在 palladium 10% on activated carbon 、 一水合肼 作用下， 以 甲醇 为溶剂， 反应 0.25h， 以92%的产率得到苯胺
  参考文献：
  名称：

  Selective Reduction of Halogenated Nitroarenes with Hydrazine Hydrate in the Presence of Pd/C

  摘要：

  A large variety of halogenated nitroarenes have been selectively reduced with hydrazine hydrate in the presence of Pd/C to give the corresponding (halogenated) anilines in good yield.

  DOI：

  10.1055/s-0033-1339025

文献信息

• Electrochemically Enabled Selenium Catalytic Synthesis of 2,1-Benzoxazoles from <i>o</i>-Nitrophenylacetylenes
  作者：Lin-Wei Wang、Yu-Feng Feng、Hong-Min Lin、Hai-Tao Tang、Ying-Ming Pan

  DOI：10.1021/acs.joc.1c00012

  日期：2021.11.19

  reported an electrochemically mediated method for the preparation of 2,1-benzoxazoles from o-nitrophenylacetylenes. Different from the traditional electrochemical reduction of nitro to nitroso, the nitro group directly underwent a cyclization reaction with the alkyne activated by selenium cation generated by the anodic oxidation of diphenyl diselenide and finally produced the desired products.

  该研究报道了一种由邻硝基苯乙炔制备 2,1-苯并恶唑的电化学介导方法。与传统的硝基电化学还原为亚硝基不同，硝基直接与二苯基二硒化物阳极氧化产生的硒阳离子活化的炔烃发生环化反应，最终生成所需产物。
• 1-(Heterocyclylalkyl)-1,3-dihydro-2H-benzimidazol-2-ones, their preparation, their pharmaceutical compositions and their use as beta-adrenergic receptor blockers
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP0005610A2

  公开（公告）日：1979-11-28

  Novel 1-(heterocyclylalkyl)-1, 3-dihydro-2H-benzimidazol-2-ones, wherein said heterocyclyl group is a 3-pyrrolidinyl or 3-piperidinyl group, each substituted in the 1-position with a 3-aryloxy-2-hydroxypropyl, 3-arylthio-2-hydroxypropyl or 2-(2. 3-dihydro-9, 4-benaodioxin-2-yl)-2-hydroxyethyl group, said compounds having useful β-adrenergic receptor blocking activity.

  新型 1-(杂环烷基)-1，3-二氢-2H-苯并咪唑-2-酮，其中所述杂环烷基是 3-吡咯烷基或 3-哌啶基，每个杂环烷基在 1 位被 3-芳氧基-2-羟基丙基、3-芳硫基-2-羟基丙基或 2-(2.3-二氢-9，4-苯并二恶烷-2-基)-2-羟乙基取代，所述化合物具有有效的 β-肾上腺素能受体阻断活性。
• METHOD FOR MANUFACTURING NITROBENZENE COMPOUND
  申请人：Ihara Chemical Industry Co., Ltd.

  公开号：EP3015451A1

  公开（公告）日：2016-05-04

  The purpose of the present invention is to provide an economically favorable, industrialization-suitable method for manufacturing nitrobenzene compounds of general formula (1). A method for manufacturing nitrobenzene compounds of general formula (1): (in the formula, R1 represents a halogen atom; R2, R3, and R4 represent a hydrogen atom, etc.; and R5 represents a halogen atom or alkoxy carbonyl group), the method including the following processes: (i) a process for reacting aniline compounds of general formula (2): (in the formula, R1, R2, R3, R4, and R5 are as previously defined.) in the presence of a metal salt of nitrous acid and an acid, and (ii) a process for reacting the product of process (i) in the presence of a metal salt of nitrous acid and a copper compound; and the total amount of water used in process (ii) being 1.2-2.2 L (liters) with respect to one mole of the compound of general formula (2).

  本发明的目的是提供一种经济上有利的、适合工业化生产的通式（1）硝基苯化合物的制造方法。一种制造通式（1）硝基苯化合物的方法： (式中，R1 代表卤原子；R2、R3 和 R4 代表氢原子等；R5 代表卤原子或烷氧基羰基），该方法包括以下过程：(i) 通式(2)的苯胺化合物的反应过程： (式中，R1、R2、R3、R4 和 R5 如前所定义。)，以及(ii)工艺(i)的产物在亚硝酸金属盐和铜化合物存在下进行反应的工艺；工艺(ii)中相对于一摩尔通式(2)化合物的用水总量为 1.2-2.2 L（升）。
• EP3964509
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] ELECTROACTIVE MATERIALS<br/>[FR] MATIÈRES ÉLECTROACTIVES
  申请人：DU PONT

  公开号：WO2016069321A3

  公开（公告）日：2016-08-18