二(4-甲氧基-2-硝基苯基)二硒醚 | 35350-45-9

• 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(4-甲氧基-2-硝基苯基)二硒醚
• 英文名称: bis(4-methoxy-2-nitrophenyl) diselenide
• 英文别名: Bis(4-methoxy-2-nitrophenyl)diselenide；4-methoxy-1-[(4-methoxy-2-nitrophenyl)diselanyl]-2-nitrobenzene
• CAS: 35350-45-9
• 化学式: C₁₄H₁₂N₂O₆Se₂
• mdl: MFCD00775972
• 分子量: 462.179
• InChiKey: DAZKGVAWZDEFEZ-UHFFFAOYSA-N

物化性质

• 熔点：
  173°C

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  110
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 海关编码：
  2909309090

SDS

Name:	Bis(4-methoxy-2-nitrophenyl)diselenide 97% Material Safety Data Sheet
Synonym:
CAS:	35350-45-9

Section 1 - Chemical Product MSDS Name:Bis(4-methoxy-2-nitrophenyl)diselenide 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
35350-45-9	Bis(4-methoxy-2-nitrophenyl)diselenide	97%	unlisted

Hazard Symbols: T
Risk Phrases: 23/25 33

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Toxic by inhalation and if swallowed. Danger of cumulative effects.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
Poison by ingestion. The toxicological properties of this substance have not been fully investigated.
Inhalation:
The toxicological properties of this substance have not been fully investigated. Toxic if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid immediately. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use extinguishing media most appropriate for the surrounding fire.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 35350-45-9: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: yellow to brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 172 - 174 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula:
Molecular Weight: 462.17

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 35350-45-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Bis(4-methoxy-2-nitrophenyl)diselenide - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: SELENIUM COMPOUND, N.O.S.
Hazard Class: 6.1
UN Number: 3283
Packing Group: III
IMO
Shipping Name: SELENIUM COMPOUND, N.O.S.
Hazard Class: 6.1
UN Number: 3283
Packing Group: III
RID/ADR
Shipping Name: SELENIUM COMPOUND, N.O.S.
Hazard Class: 6.1
UN Number: 3283
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 23/25 Toxic by inhalation and if swallowed.
R 33 Danger of cumulative effects.
Safety Phrases:
S 20/21 When using do not eat, drink or smoke.
S 28A After contact with skin, wash immediately with
plenty of water.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 35350-45-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 35350-45-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 35350-45-9 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  二(4-甲氧基-2-硝基苯基)二硒醚 在 氢溴酸 、 溶剂黄146 、 锌 作用下， 生成 2-methyl-benzoselenazol-5-ol
  参考文献：
  名称：

  Ochiai et al., Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1950, vol. 70, p. 372,375

  摘要：

  DOI：
• 作为产物：
  描述：

  4-溴-3-硝基苯甲醚 在 selenium 、 potassium hydroxide 作用下， 以 水 为溶剂， 反应 2.0h， 以15%的产率得到二(4-甲氧基-2-硝基苯基)二硒醚
  参考文献：
  名称：

  双苯胺衍生的二硒化物作为 GPx 模拟物的催化抗氧化活性

  摘要：

  在此，我们描述了一种获取苯胺衍生的二硒化物并评估其抗氧化/GPx 模拟特性的简单有效途径。通过从容易获得的 2-硝基芳族卤化物（Cl、Br、I）通过 ipso-取代/还原以良好的收率获得二硒化物。这些二硒化物具有 GPx 模拟物特性，显示出比标准 GPx 模拟物化合物依布硒啉和二苯基二硒化物更好的抗氧化活性。DFT 分析表明，取代基的电子特性决定了硒的电荷离域和部分电荷，这与催化性能相关。氨基通过与硒的氢键共同稳定硒酸盐中间体。

  DOI：

  10.3390/molecules26154446

文献信息

• Catalytic Antioxidant Activity of Bis-Aniline-Derived Diselenides as GPx Mimics
  作者：Giancarlo V. Botteselle、Welman C. Elias、Luana Bettanin、Rômulo F. S. Canto、Drielly N. O. Salin、Flavio A. R. Barbosa、Sumbal Saba、Hugo Gallardo、Gianluca Ciancaleoni、Josiel B. Domingos、Jamal Rafique、Antonio L. Braga

  DOI：10.3390/molecules26154446

  日期：——

  diselenides present GPx-mimetic properties, showing better antioxidant activity than the standard GPx-mimetic compounds, ebselen and diphenyl diselenide. DFT analysis demonstrated that the electronic properties of the substituents determine the charge delocalization and the partial charge on selenium, which correlate with the catalytic performances. The amino group concurs in the stabilization of the selenolate

  在此，我们描述了一种获取苯胺衍生的二硒化物并评估其抗氧化/GPx 模拟特性的简单有效途径。通过从容易获得的 2-硝基芳族卤化物（Cl、Br、I）通过 ipso-取代/还原以良好的收率获得二硒化物。这些二硒化物具有 GPx 模拟物特性，显示出比标准 GPx 模拟物化合物依布硒啉和二苯基二硒化物更好的抗氧化活性。DFT 分析表明，取代基的电子特性决定了硒的电荷离域和部分电荷，这与催化性能相关。氨基通过与硒的氢键共同稳定硒酸盐中间体。
• A One-Pot Access to Benzo[b][1,4]selenazines from 2-Aminoaryl Diselenides
  作者：Stefano Menichetti、Antonella Capperucci、Damiano Tanini、Antonio L. Braga、Giancarlo V. Botteselle、Caterina Viglianisi

  DOI：10.1002/ejoc.201600351

  日期：2016.6

  Different 2-sulfonylaminoaryl diselenides substituted with electron-withdrawing or -donating groups are transformed in one pot into benzo[b][1,4]selenazines. The reaction uses a substoichiometric amount of Cu(OTf)2, and the mechanism involves a base-mediated 1,4-elimination at selenium with the generation of an o-iminoselenoquinone and a 2-sulfonylaminoselenolate anion. The former is a dienic species

  不同的被吸电子或给电子基团取代的 2-磺酰氨基芳基二硒化物在一锅中转化为苯并[b][1,4]硒嗪。该反应使用亚化学计量的 Cu(OTf)2，其机制涉及碱介导的 1,4-硒消除，同时生成 o-亚氨基硒代醌和 2-磺酰氨基硒代阴离子。前者是一种二烯类物质，可以与富电子亲二烯体反应生成目标环加合物。后者被空气氧化回起始的二硒化物，使其完全消耗。还描述了对选定硒嗪的 GPx 样活性的初步研究。
• Rheinboldt; Giesbrecht, Chemische Berichte, 1955, vol. 88, p. 666,672
  作者：Rheinboldt、Giesbrecht

  DOI：——

  日期：——
• Rheinboldt; Giesbrecht, Chemische Berichte, 1955, vol. 88, p. 1,8
  作者：Rheinboldt、Giesbrecht

  DOI：——

  日期：——
• Rheinboldt; Perrier, Bulletin de la Societe Chimique de France, 1953, p. 484,486
  作者：Rheinboldt、Perrier

  DOI：——

  日期：——