1,2-Bis-(4-cyanophenoxy)-ethan | 56406-20-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1,2-Bis-(4-cyanophenoxy)-ethan
• 英文别名: 1,2-Bis(4-cyanophenoxy)ethane；4-[2-(4-cyanophenoxy)ethoxy]benzonitrile
• CAS: 56406-20-3
• 化学式: C₁₆H₁₂N₂O₂
• 分子量: 264.283
• InChiKey: IGOKKRACOOYNCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  66
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2926909090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1,2-Bis(4-cyanophenoxy)ethane
Synonyms: 4-[2-(4-Cyanophenoxy)ethoxy]benzonitrile

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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: 1,2-Bis(4-cyanophenoxy)ethane
CAS number: 56406-20-3

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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: C16H12N2O2
Molecular weight: 264.3

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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.

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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：

  1,2-Bis-(4-cyanophenoxy)-ethan 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 以86.7%的产率得到1,2-Bis-(4-guanylphenoxy)-ethan
  参考文献：
  名称：

  Discovery of decamidine as a new and potent PRMT1 inhibitor

  摘要：

  这份报告介绍了十甲胺作为蛋白质精氨酸甲基转移酶1（PRMT1）的有效抑制剂的合成和评价。

  DOI：

  10.1039/c6md00573j
• 作为产物：
  描述：

  4-羟基苯甲腈 、 1,2-二溴乙烷 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 以76%的产率得到1,2-Bis-(4-cyanophenoxy)-ethan
  参考文献：
  名称：

  分子构造：通过带有两个苄腈部分的低聚乙二醇基构造生成1-D叉指和2-D交织螺旋银配位网络

  摘要：

  基于在末端带有苄醇基的低聚乙二醇单元的配体在结晶相中表现为，并在存在银阳离子的情况下导致形成不同的配位网络。根据乙二醇单元的数量，可以获得由螺旋线组成的一维阶梯型或一维叉指和二维交织结构。

  DOI：

  10.1039/b611415f

文献信息

• Bis(4-[4'-hydroxy-5'-carboxy-2'-pyrimidinyl]phenoxy)alkanes
  申请人：Pfizer Inc.

  公开号：US03957784A1

  公开（公告）日：1976-05-18

  5-Carboxypyrimidine derivatives and their pharmaceutically acceptable basic salts, and their use as antiallergy agents.

  5-羧基嘧啶衍生物及其药用可接受的碱盐，以及它们作为抗过敏药物的用途。
• Sulfonamide bridging compounds that inhibit tryptase activity
  申请人：Array Biopharma Inc.

  公开号：US06221914B1

  公开（公告）日：2001-04-24

  The present invention is directed to compounds which are capable of inhibiting the activity of tryptase. Such compounds are useful in the treatment or prevention of inflammatory disease, particularly those disease states which are mediated by mast cell activation. Also encompassed by the invention are formulations comprising the noted compounds, processes for preparing such compounds and methods for treating or preventing an inflammatory disease.

  本发明涉及一种能够抑制色氨酸蛋白酶活性的化合物。这些化合物对于治疗或预防炎症性疾病是有用的，特别是那些由肥大细胞激活介导的疾病状态。该发明还包括含有上述化合物的配方、制备这种化合物的方法以及治疗或预防炎症性疾病的方法。
• Ashley et al., Journal of the Chemical Society, 1942, p. 103,107
  作者：Ashley et al.

  DOI：——

  日期：——
• GB507565
  申请人：——

  公开号：——

  公开（公告）日：——
• Effect of theory-based feature correlations on typicality judgments
  作者：Woo-Kyoung Ahn、Jessecae K. Marsh、Christian C. Luhmann、Kevin Lee

  DOI：10.3758/bf03195270

  日期：2002.1

  In the present study, we examine what types of feature correlations are salient in our conceptual representations. It was hypothesized that of all possible feature pairs, those that are explicitly recognized as correlated (i.e., explicit pairs) and affect typicality judgments are the ones that are more likely theory based than are those that are not explicitly recognized (i.e., implicit pairs). Real-world categories and their properties, taken from Malt and Smith (1984), were examined. We found that explicit pairs had a greater number of asymmetric dependency relations (i.e., one feature depends on the other feature, but not vice versa) and stronger dependency relations than did implicit pairs, which were statistically correlated in the environment but were not recognized as such. In addition, people more often provided specific relation labels for explicit pairs than for implicit pairs; these labels were most often causal relations. Finally, typicality judgments were more affected when explicit correlations were broken than when implicit correlations were broken. It is concluded that in natural categories, feature correlations that are explicitly represented and affect typicality judgments are the ones about which people have theories.