4-正己基联苯 | 59662-31-6

• 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: 4-正己基联苯
• 中文别名: 4-己基联苯；对己基联苯
• 英文名称: 4-hexyl-1,1'-biphenyl
• 英文别名: 4-n-hexylbiphenyl；4-hexylbiphenyl；4-Hexyl-biphenyl；4-Hexyl-diphenyl；1-hexyl-4-phenylbenzene
• CAS: 59662-31-6
• 化学式: C₁₈H₂₂
• mdl: MFCD00009527
• 分子量: 238.373
• InChiKey: XRPVQXPWEVJKTN-UHFFFAOYSA-N

物化性质

• 熔点：
  29 °C
• 沸点：
  175-177 °C (3 mmHg)
• 密度：
  0,988 g/cm3
• 闪点：
  >110°C
• 稳定性/保质期：
  避免接触氧化物

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 安全说明：
  S23,S24/25
• 海关编码：
  2902909090
• 储存条件：
  在密封的贮藏器中保存，并将其置于阴凉、干燥处。

SDS

Name:	4-Hexylbiphenyl 99% Material Safety Data Sheet
Synonym:	4-n-hexylbipheny
CAS:	59662-31-6

Section 1 - Chemical Product MSDS Name:4-Hexylbiphenyl 99% Material Safety Data Sheet
Synonym:4-n-hexylbipheny

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
59662-31-6	4-hexylbiphenyl	99.0	261-845-0

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
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 immediately.
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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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:
Antidote: None reported.

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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 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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. 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. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. 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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 59662-31-6: 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:
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: white to pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 148.0 - 150.0 deg C @ 2.00mm
Freezing/Melting Point: 30.00 - 30.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .9880g/cm3
Molecular Formula: C18H22
Molecular Weight: 238.37

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 59662-31-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-hexylbiphenyl - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION
Other No information available.

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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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
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# 59662-31-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 59662-31-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 59662-31-6 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：

  4-正己基联苯 在 吡啶 、 盐酸羟胺 、 乙酸酐 、 四氯化钛 作用下， 反应 4.5h， 生成 4-己基联苯腈
  参考文献：
  名称：

  Ruolene, Yu. I.; Adomenas, P. V.; Sirutkaitis, R. A., Journal of Organic Chemistry USSR (English Translation), 1984, vol. 20, p. 1187 - 1191

  摘要：

  DOI：
• 作为产物：
  描述：

  4-正己酰基联苯 在 氢氧化钾 、 一水合肼 作用下， 以 二乙二醇 为溶剂， 反应 3.0h， 生成 4-正己基联苯
  参考文献：
  名称：

  噻吩/亚苯基共聚体的合成。V †。在分子末端实现光电子器件应用功能

  摘要：

  我们报告了各种噻吩/亚苯基共聚体的合成，其中噻吩和苯（亚苯基）环的总数为5和6，并带有各种端基。这些末端基团选自烷基，甲氧基，三氟甲基和氰基。这些化合物的分子主链包含苯基或联苯基基团封的噻吩（或低聚噻吩）或交替的共聚低聚物。该合成基于Suzuki偶联反应或Negishi偶联反应。这些反应方案使我们能够高质量地获得目标化合物。特别地，后一种偶联方法证明以高收率生产化合物。基于它们的给电子性（烷基和甲氧基）或吸电子性（三氟甲基和氰基），期望端基产生各种官能度。另外，这些基团中的一些带来增强的溶解性。这将导致产生多种噻吩/亚苯基共聚低聚物的改性化合物。为了举例说明目标化合物的实用性，我们提供了与其设备应用相关的光电数据。

  DOI：

  10.1002/jhet.5570440417

文献信息

• 一种离子型铁(II)配合物及其制备方法与应 用
  申请人：苏州大学

  公开号：CN105541922B

  公开（公告）日：2018-06-19

  本发明公开了一种离子型铁(II)配合物及其制备方法与应用，所述离子型铁(II)配合物含膦配体和咪唑（啉）阳离子，通式为：[Fe(PR3)X3][(R1NCHnCHnNR1)CH]，其中X选自氯或溴中的一种。本发明的含膦配体和咪唑（啉）阳离子的离子型铁(II)配合物可以高效地催化磷酸芳基二乙酯类化合物与烷基格氏试剂的交叉偶联反应；尤其能有效催化未活化的磷酸芳基二乙酯类化合物与烷基格式试剂的反应。
• METHOD FOR PRODUCING ARENE COMPOUNDS AND ARENE COMPOUNDS PRODUCED BY THE SAME
  申请人：JSI Silicone Co.

  公开号：US20210188739A1

  公开（公告）日：2021-06-24

  Provided is a method for producing (alkyl)arene compounds represented by Formulae 3-1, 3-2, and 3-3 by the Friedel-Crafts alkylation reaction of alkyl halide compounds and arene compounds using organic phosphine compounds as a catalyst.

  提供了一种通过使用有机膦化合物作为催化剂，通过烷基卤化物化合物和芳烃化合物进行弗里德尔-克拉夫茨烷基化反应生产代表为Formulae 3-1、3-2和3-3的(烷基)芳烃化合物的方法。
• Iron-Catalyzed Cross-Coupling Reaction of Alkyl Halides with Biphenyl Grignard Reagent
  作者：Z.Q. Dai、K.Q. Liu、Z.Y. Zhang、B.M. Wei、J.T. Guan

  DOI：10.14233/ajchem.2013.14469

  日期：——

  In the presence of a catalytic amount of iron salts and N,N,N,N-tetramethylethylene diamine as additive, alkyl bromide reacted with biphenyl magnesium bromide to obtain the cross-coupling product in good yields. The suitable amount of catalyst and the additive are 5 % mol (based on alkyl bromide), 1.3 equiv(based on alkyl bromide), respectively. Under the optimal conditions, the yields of the cross-coupling could reach up to 92.3 %.

  在铁盐催化剂及N,N,N,N-四甲基乙二胺助剂的存在下，烷基溴化物与联苯基镁溴化物反应，以良好的产率获得了交叉偶联产物。适宜的催化剂和助剂用量分别为烷基溴化物的5 %摩尔百分比和1.3当量。在最佳条件下，交叉偶联产物的产率可达92.3 %。
• Alkyl Grignard cross-coupling of aryl phosphates catalyzed by new, highly active ionic iron(<scp>ii</scp>) complexes containing a phosphine ligand and an imidazolium cation
  作者：Zhuang Li、Ling Liu、Hong-mei Sun、Qi Shen、Yong Zhang

  DOI：10.1039/c6dt02995g

  日期：——

  ionic iron(II) complex, [HIPr][Fe(C4H8O)Cl3] (1), has been isolated from the reaction of FeCl2(THF)1.5 with one equiv. of [HIPr]Cl in 90% yield and it can further react with one equiv. of PPh3 or PCy3, affording the corresponding target iron(II) complex 2 or 3, respectively. All these complexes were characterized by elemental analysis, electrospray ionization mass spectrometry (ESI-MS), 1H NMR spectroscopy

  一种新型的家庭离子铁（的II通式[HL]的）配合物的[Fe（PR' 3）X 3 ]（HL = 1,3-双（2,6-二异丙基）咪唑鎓阳离子，HIPR，R'= Ph，X = Cl，2 ; HL = HIPr，R'= Cy，X = Cl，3 ; HL = HIPr，R'= Ph，X = Br，4 ; HL = HIPr，R'= Cy，X = Br ，5 ; HL = 1,3-双（2,4,6-三甲基苯基）咪唑鎓阳离子，HIMes，R'= Cy，X = Br，6）易于通过分步制备88％–92％的产率。另外，离子铁（II）络合物[HIPr] [Fe（C 4 H 8 O）Cl 3 ]（1），已从FeCl 2（THF）1.5与一当量的反应中分离出来。的[HIPr] Cl的收率为90％，并且可以进一步与一个当量反应。PPh 3或PCy 3分别生成相应的目标铁（II）配合物2或3。所有这些配合物均通过元素分析，电喷雾电离质谱（ESI-MS），1
• Ionic iron(III) complexes bearing a dialkylbenzimidazolium cation: Efficient catalysts for magnesium-mediated cross-couplings of aryl phosphates with alkyl bromides
  作者：Zhuang Li、Bing Lu、Hongmei Sun、Qi Shen、Yong Zhang

  DOI：10.1002/aoc.3671

  日期：2017.8

  A series of ionic iron(III) complexes of general formula [HLn][FeX4] (HL1 = 1,3‐dibenzylbenzimidazolium cation, X = Cl, 1; HL1, X = Br, 2; HL2 = 1,3‐dibutylbenzimidazolium cation, X = Br, 3; HL3 = 1,3‐bis(diphenylmethyl)benzimidazolium cation, X = Br, 4) were easily prepared in high yields by the direct reaction of FeX3 with 1 equiv. of [HLn]X under mild conditions. All of them were characterized using

  一系列通式为[HL n ] [FeX 4 ]的离子铁（III）配合物（HL 1  = 1,3-二苄基苯并咪唑鎓阳离子，X = Cl，1； HL 1，X = Br，2； HL 2  = 1通过将FeX 3与1当量直接反应，可以轻松地高收率制备 3,3-二丁基苯并咪唑鎓阳离子，X = Br，3 ; HL 3 = 1,3-双（二苯基甲基）苯并咪唑鎓阳离子，X = Br，4）。在温和条件下的[HL n ] X值。所有元素均使用元素分析，拉曼光谱和电喷雾电离质谱法以及X射线晶体学进行了表征1和4。在存在镁屑和LiCl的情况下，这些对空气和水分不敏感的络合物在芳基磷酸酯与伯和仲烷基溴化物的直接交叉偶联中具有较高的催化活性，其中络合物4最有效。