二(氰基)二(1,10-菲咯啉)-铁 | 14768-11-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 中文名称: 二(氰基)二(1,10-菲咯啉)-铁
• 英文名称: dicyanobis(1,10-phenanthroline)iron(II)
• 英文别名: Fe^II(1,10-phenanthroline)₂(CN)₂；Fe(phen)2(CN)2；iron(2+);1,10-phenanthroline;dicyanide
• CAS: 14768-11-7
• 化学式: C₂₆H₁₆FeN₆
• 分子量: 468.3
• InChiKey: YAQXGBBDJYBXKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.76
• 重原子数：
  33
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  99.1
• 氢给体数：
  0
• 氢受体数：
  8

安全信息

• 危险等级：
  6.1(a)
• 包装等级：
  II
• 危险类别：
  6.1(a)
• 危险品运输编号：
  UN 2811

SDS

Name:	Dicyanobis(1 10-Phenanthroline) Iron Trihydrate 99% (Titr.) Material Safety Data Sheet
Synonym:	None
CAS:	14768-11-7

Section 1 - Chemical Product MSDS Name:Dicyanobis(1 10-Phenanthroline) Iron Trihydrate 99% (Titr.) Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
14768-11-7	Iron,bis(cyano-c)bis(1,10-phenanthroli	99	238-833-9

Hazard Symbols: XN
Risk Phrases: 20/21/22

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:
Treat symptomatically and supportively.

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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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 14768-11-7: Belgium - TWA: (listed as iron salts (soluble)): 1 mg/m3 VLE (as Malaysia: (listed as iron salts (soluble)): 1 mg/m3 TWA (as Fe) Netherlands: (listed as iron salts (soluble)): 1 mg/m3 MAC (as Fe Spain: (listed as iron salts (soluble)): 1 mg/m3 VLA-ED (as Fe) Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C26H16FeN6.3H2O
Molecular Weight: 522.34

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen cyanide, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, sulfur oxides (SOx), including sulfur oxide and sulfur dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 14768-11-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Iron,bis(cyano-c)bis(1,10-phenanthroline-n1,n10)- - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37 Wear suitable protective clothing and
gloves.
S 37 Wear suitable gloves.
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# 14768-11-7: No information available.
Canada
CAS# 14768-11-7 is listed on Canada's NDSL List.
CAS# 14768-11-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 14768-11-7 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  二(氰基)二(1,10-菲咯啉)-铁 在 sodium perchlorate 、 氯 作用下， 以 盐酸 为溶剂， 以91%的产率得到dicyanobis(phenantroline)iron(III) perchlorate
  参考文献：
  名称：

  配体对烷基还原铁（III）配合物的影响。由氰铁（III）和氯铁（III）形成烷基异氰化物和氯化物

  摘要：

  DOI：

  10.1021/om00065a010
• 作为产物：
  描述：

  三(1,10-菲咯啉)硫酸铁 在 potassium cyanide 作用下， 以 水 为溶剂， 以90%的产率得到二(氰基)二(1,10-菲咯啉)-铁
  参考文献：
  名称：

  配体对烷基还原铁（III）配合物的影响。由氰铁（III）和氯铁（III）形成烷基异氰化物和氯化物

  摘要：

  DOI：

  10.1021/om00065a010

文献信息

• Enhancement of rates of reaction using neutral water/organic microemulsions as solvent media
  作者：Michael J. Blandamer、John Burgess、Barbara Clark

  DOI：10.1039/c39830000659

  日期：——

  Relative to the rate constants for reactions in aqueous solutions the rate constants for reactions involving (i) Fe(phen)32+(phen = 1,10-phenanthroline), (ii) Fe(5-NO2phen)32+, (iii) 2,4-dinitrochlorobenzene, and (iv) crystal violet with either hydroxide or cyanide ions are increased markedly when two water/organic microemulsions formed from liquid components are used as reaction media; a similar though

  相对于水溶液中反应的速率常数，涉及（i）Fe（phen）3 2+（phen = 1,10-菲咯啉），（ii）Fe（5-NO 2 phen）3 2+的反应速率常数；（iii）当使用由液体组分形成的两种水/有机微乳液作为反应介质时，具有氢氧根或氰化物离子的2,4-二硝基氯苯和（iv）结晶紫显着增加；在相关的水合速率（水解）中观察到了相似但不太明显的变化。
• A Modular Approach to Light Capture and Synthetic Tuning of the Excited-State Properties of Fe(II)-Based Chromophores
  作者：Bryan C. Paulus、Karl C. Nielsen、Christopher R. Tichnell、Monica C. Carey、James K. McCusker

  DOI：10.1021/jacs.1c02451

  日期：2021.6.2

  The development of chromophores based on earth-abundant transition metals whose photophysical properties are dominated by their charge-transfer excited states has inspired considerable research over the past decade. One challenge associated with this effort is satisfying the dual requirements of a strong ligand field and chemical tunability of the compound’s absorptive cross-section. Herein we explore

  在过去十年中，基于地球上丰富的过渡金属的发色团的发展激发了大量的研究。与这项工作相关的一个挑战是满足强配体场和化合物吸收截面的化学可调性的双重要求。在这里，我们探索了一种可能的方法，它使用一种将这两种属性结合到一个单一化合物中的杂配组合基序。以母体配合物[Fe(phen) 3 ] 2+ ( 1 ; 其中phen为1,10-菲咯啉)为起始材料，将phen配体中的一个置换为两个氰化物以获得Fe(phen) 2 (CN) 2 (2 ) 允许转化为 [Fe(phen) 2 (C 4 H 10 N 4 )] 2+ ( 3 )，一种六配位的 Fe(II) 配合物，其配位球由两个螯合多吡啶配体和一个双齿卡宾组成-基于捐助者。所有三种化合物的基态吸收光谱都表现出1 A 1 → 1 MLCT 跃迁，与对第三个反配体的身份相对不敏感的 phen 配体相关。超快时间分辨电子吸收测量揭示了化合物1和2 MLCT 激发态的寿命分别为
• Kinetics of the thermal decomposition of [Fe(CN)5H2O]3− in aqueous solutions containing o-phenanthroline with reference to the photolysis of [Fe(CN)5H2O]2−
  作者：S.E. Ronco、P.J. Aymonino

  DOI：10.1016/s0020-1693(00)87916-5

  日期：1987.7

  Abstract Kinetics of the thermal decomposition of aquopentacyanoferrate(II) in aqueous solutions in the presence of o -phenanthroline were studied spectrophotometrically. The value found for the first order thermal rate constant kθ at 30 °C, I = M (NaCl), was (2.12 ± 0.09) × 10 −4 s −1 . Δ H ≠ = (102 ± 2) kJ mol −1 and Δ S ≠ = (23 ± 14) J K −1 mol −1 . o -Phenanthroline gave place to important quantities

  摘要用分光光度法研究了邻菲咯啉存在下季戊四酸高铁酸亚铁（II）在水溶液中的热分解动力学。在30°C时，一阶热速率常数kθ的值I = M（NaCl），为（2.12±0.09）×10 -4 s -1。ΔH≠＝（102±2）kJ mol -1和ΔS≠＝（23±14）JK -1 mol -1。邻菲咯啉取代了重要的[Fe（CN）4（o -phen）] 2−和[Fe（o-phen）3] 2+和少量的[Fe（CN）2（o -phen） ）2。还研究了[Fe（CN）5 H 2 O] 3-的光化学行为，但发现紫外线（365 nm波长）对其没有整洁的影响。
• Photolysis of aquopentacyanoferrate(III) in aqueous solution in the presence of o-phenanthroline with reference to the photolysis of nitroprusside
  作者：S.E. Ronco、P.J. Aymonino

  DOI：10.1016/s0020-1693(00)82558-x

  日期：1983.1
• Griffiths, Lynne; Straughan, Brian P.; Gardiner, Derek J., Journal of the Chemical Society, Dalton Transactions, 1983, p. 305 - 310
  作者：Griffiths, Lynne、Straughan, Brian P.、Gardiner, Derek J.

  DOI：——

  日期：——