二氯碘硝基苯 | 62778-19-2

• 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: 二氯碘硝基苯
• 中文别名: 1,3-二氯-2-碘-5-硝基苯；3,5-二氯-4-碘硝基苯
• 英文名称: 1,3-dichloro-2-iodo-5-nitrobenzene
• CAS: 62778-19-2
• 化学式: C₆H₂Cl₂INO₂
• 分子量: 317.898
• InChiKey: FCDBEIIBODDDEJ-UHFFFAOYSA-N

物化性质

• 熔点：
  153 °C
• 沸点：
  335.5±42.0 °C(Predicted)
• 密度：
  2.158±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  在常温常压下稳定，远离氧化剂。

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  12
• 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

• 海关编码：
  2904909090
• 储存条件：
  存放在密封容器内，并放置在阴凉、干燥处。请远离氧化剂并避免光照保存。

SDS

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Section I.Chemical Product and Company Identification
Chemical Name 3,5-Dichloro-4-Iodonitrobenzene
Portland OR
1,3-Dichloro-2-iodo-5-nitrobenzene
Synonym
C6H2Cl2INO2
Chemical Formula
CAS Number 62778-19-2

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Section II. Composition and Information on Ingredients
Chemical Name CAS Number Percent (%) TLV/PEL Toxicology Data
3,5-Dichloro-4-Iodonitrobenzene 62778-19-2 Min. Not available. Not available.
99.0%(GC)

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Section III. Hazards Identification
Acute Health Effects No specific information is available in our data base regarding the toxic effects of this material for humans. However,
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound.
CARCINOGENIC EFFECTS : Not available.
Chronic Health Effects
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.

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Section IV. First Aid Measures
Eye Contact Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
minutes. Get medical attention.
Skin Contact In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing
before reuse. Thoroughly clean shoes before reuse. Get medical attention.
If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
Inhalation
waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
improve.
Ingestion INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the
toxic material was ingested; the absence of such signs, however, is not conclusive.

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Section V. Fire and Explosion Data
Not available.
Auto-Ignition
Flammability May be combustible at high temperature.
Flash Points Flammable Limits Not available.
Not available.
Combustion Products These products are toxic carbon oxides (CO, CO2), nitrogen oxides (NO, NO2), halogenated compounds.
WARNING: Highly toxic HCl gas is produced during combustion.
Fire Hazards
Not available.
Explosion Hazards Risks of explosion of the product in presence of mechanical impact: Not available.
Risks of explosion of the product in presence of static discharge: Not available.
Fire Fighting Media
SMALL FIRE: Use DRY chemical powder.
LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
and Instructions
Consult with local fire authorities before attempting large scale fire-fighting operations.
Continued on Next Page
3,5-Dichloro-4-Iodonitrobenzene

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Section VI. Accidental Release Measures
Spill Cleanup Use a shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any
contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
Instructions
disposal.

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Section VII. Handling and Storage
Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and store in a dry, cool
Handling and Storage
place. Avoid excessive heat and light. Do not breathe dust.
Information
Always store away from incompatible compounds such as oxidizing agents.

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Section VIII. Exposure Controls/Personal Protection
Engineering Controls Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
airborne contaminants below the exposure limit.
Personal Protection Splash goggles. Lab coat. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult
a specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
Exposure Limits Not available.

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Section IX. Physical and Chemical Properties
Solid. (Light Yellow Crystals.) Solubility
Physical state @ 20°C Not available.
Not available.
Specific Gravity
Molecular Weight 317.9 Partition Coefficient Not available.
Boiling Point
Not available. Vapor Pressure Not applicable.
Melting Point 153°C (307.4°F) Vapor Density Not available.
Refractive Index Not available. Volatility Not available.
Critical Temperature Not available. Odor Not available.
Viscosity Not available. Taste Not available.

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Section X. Stability and Reactivity Data
Stability

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This material is stable if stored under proper conditions. (See Section VII for instructions)
Conditions of Instability Avoid excessive heat and light.
Incompatibilities Reactive with oxidizing agents.

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Section XI. Toxicological Information
Not available.
RTECS Number
Eye Contact. Ingestion. Inhalation.
Routes of Exposure
Toxicity Data Not available.
Chronic Toxic Effects CARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
Acute Toxic Effects No specific information is available in our data base regarding the toxic effects of this material for humans. However,
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound.
Continued on Next Page
3,5-Dichloro-4-Iodonitrobenzene

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Section XII. Ecological Information
Ecotoxicity Not available.
Not available.
Environmental Fate

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Section XIII. Disposal Considerations
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
Waste Disposal
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
federal, state and local regulations when disposing of the substance.

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Section XIV. Transport Information
DOT Classification Not a DOT controlled material (United States).
Not applicable.
PIN Number
Proper Shipping Name
Not applicable.
Packing Group (PG) Not applicable.
DOT Pictograms

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Section XV. Other Regulatory Information and Pictograms
TSCA Chemical Inventory This compound is ON the EPA Toxic Substances Control Act (TSCA) inventory list.
(EPA)
WHMIS Classification On NDSL.
(Canada)
EINECS Number (EEC)
Not available.
EEC Risk Statements Not available.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  二氯碘硝基苯 在 环己烷 、 铜 、 铂 作用下， 生成 2,6,2',6'-tetrachloro-benzidine
  参考文献：
  名称：

  Hindered Diphenoquinones: Diradicals of Oxygen¹

  摘要：

  DOI：

  10.1021/jo01353a001
• 作为产物：
  描述：

  2,6-dichloro-4-nitrobenzenediazonium o-benzenedisulfonimide 在 sodium hydroxide 、 氢碘酸 作用下， 以 乙腈 为溶剂， 反应 13.5h， 生成 二氯碘硝基苯
  参考文献：
  名称：

  1-芳基-3,3-二烷基三氮烯：从干芳基重氮邻苯二磺酰亚胺方便合成 - 高产率分解为起始干盐并高效转化为芳基碘化物、溴化物和氯化物

  摘要：

  综合 2001, No. 14, 26 1

  DOI：

  10.1055/s-2001-18072

文献信息

• BORON-CONTAINING SMALL MOLECULES
  申请人：Eli Lilly and Company

  公开号：US20130131016A1

  公开（公告）日：2013-05-23

  This invention provides novel compounds, methods of using the compounds, and pharmaceutical formulations comprising the compounds.

  这项发明提供了新颖的化合物，使用这些化合物的方法，以及包含这些化合物的药物配方。
• [EN] TRIAZOLE COMPOUNDS AS ANTIVIRALS<br/>[FR] COMPOSÉS TRIAZOLES EN TANT QU'ANTIVIRAUX
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014006066A1

  公开（公告）日：2014-01-09

  The present invention discloses compounds of Formula I: wherein the variables in Formula I are defined as described herein. Also disclosed are pharmaceutical compositions containing such compounds and methods for using the compounds of Formula I in the prevention or treatment of HCV infection.

  本发明公开了公式I的化合物：其中公式I中的变量定义如本文所述。还公开了包含此类化合物的药物组合物以及使用公式I化合物预防或治疗HCV感染的方法。
• Novel Phosphinic Acid-Containing Thyromimetics
  申请人：Erion Mark D.

  公开号：US20090028925A1

  公开（公告）日：2009-01-29

  The present invention relates to compounds of phosphonic acid-containing T3 mimetics and monoesters thereof, stereoisomers, pharmaceutically acceptable salts, co-crystals, and prodrugs thereof and pharmaceutically acceptable salts and co-crystals of the prodrugs, as well as their preparation and uses for preventing and/or treating metabolic diseases such as obesity, NASH, hypercholesterolemia and hyperlipidemia, as well as associated conditions such as atherosclerosis, coronary heart disease, impaired glucose tolerance, metabolic syndrome x and diabetes.

  本发明涉及含有磷酸基T3拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟
• [EN] ANTIVIRAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIVIRAUX
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014135495A1

  公开（公告）日：2014-09-12

  The present invention discloses compounds of Formula I: wherein the variables in Formula I are defined as described herein. Also disclosed are pharmaceutical compositions containing such compounds and methods for using the compounds of Formula I in the prevention or treatment of HCV infection.

  本发明公开了化合物的结构式I：其中结构式I中的变量如本文所述。还公开了含有这些化合物的药物组合物，以及使用结构式I中的化合物预防或治疗HCV感染的方法。
• [EN] A COMPOUND AS A THYROID HORMONE BETA RECEPTOR AGONIST AND USE THEREOF<br/>[FR] COMPOSÉ UTILISÉ COMME AGONISTE DU RÉCEPTEUR BÊTA DES HORMONES THYROÏDIENNES ET SON UTILISATION
  申请人：SUNSHINE LAKE PHARMA CO LTD

  公开号：WO2021043185A1

  公开（公告）日：2021-03-11

  Provided herein is a compound as a thyroid hormone β receptor agonist and use thereof. It further relates to a pharmaceutical composition comprising the compound. The compound or the pharmaceutical composition can be used in the manufacture of a medicament for preventing, treating or alleviating diseases regulated by thyroid hormone β receptors, especially in the manufacture of a medicament for treating non-alcoholic fatty liver disease.

  本文提供了一种作为甲状腺激素β受体激动剂的化合物及其使用。它进一步涉及包含该化合物的药物组合物。该化合物或药物组合物可用于制造用于预防、治疗或缓解由甲状腺激素β受体调节的疾病的药物，特别是用于制造治疗非酒精性脂肪肝病的药物。

表征谱图