1-(4-溴苯基)辛烷 | 51554-93-9

• 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: 1-(4-溴苯基)辛烷
• 中文别名: 对溴辛基苯；1-溴-4-n-辛基苯；4-正辛基溴苯；1-溴-4-正辛基苯；1-溴-4-辛基苯；1-溴-4-N-辛基苯
• 英文名称: 1-bromo-4-octylbenzene
• 英文别名: 4-octylbromobenzene；1-bromo-4-n-octylbenzene；4-bromo(octylbenzene)；4-n-octylbromobenzene；4-octyl-1-bromobenzene
• CAS: 51554-93-9
• 化学式: C₁₄H₂₁Br
• 分子量: 269.225
• InChiKey: OOZQSVXPBCINJF-UHFFFAOYSA-N

物化性质

• 沸点：
  199-201°C
• 密度：
  1,13 g/cm3
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解，目前没有已知危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2903999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  请将贮藏器密封保存在阴凉干燥处，并确保工作环境中具有良好通风或排气设施。

SDS

Name:	1-(4-Bromophenyl)octane 97% Material Safety Data Sheet
Synonym:
CAS:	51554-93-9

Section 1 - Chemical Product MSDS Name:1-(4-Bromophenyl)octane 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
51554-93-9	1-(4-Bromophenyl)octane	97%	unlisted

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

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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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.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
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# 51554-93-9: 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: Liquid
Color: colorless - pale yellow
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 available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C14H21Br
Molecular Weight: 269.22

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen bromide, bromine.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 51554-93-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(4-Bromophenyl)octane - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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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.
WGK (Water Danger/Protection)
CAS# 51554-93-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 51554-93-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 51554-93-9 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：

  1-(4-溴苯基)辛烷 在 正丁基锂 、 硼酸三异丙酯 作用下， 生成 4-N-辛基苯硼酸
  参考文献：
  名称：

  对二硫代氨基甲酸酯前体路线的更深刻了解：用于光伏应用的可溶性聚亚苯基亚乙烯基衍生物的合成

  摘要：

  描述了两种新的聚亚噻吩乙烯撑衍生物的合成，即聚（3-辛基-2,5-噻吩撑乙烯撑）（O-PTV）和聚（双[辛基苯基-2,5-噻吩撑乙烯撑]）（ BOP-PTV）。两种聚合物均通过二硫代氨基甲酸酯（DTC）前体路线制备。通过使用不同的碱已经优化了单体向前体聚合物的聚合方案，从而提高了聚合步骤的可重复性。通过引入烷基侧链保证了可加工性。最后，将前体聚合物转化为共轭聚合物，并通过UV / vis，IR，GPC和循环伏安法对其进行了全面表征。以PCBM为受体的块状异质结太阳能电池显示出有希望的功率转换效率，对于BOP-PTV为0.80％，对于O-PTV为0.92％。

  DOI：

  10.1021/ma102101e
• 作为产物：
  描述：

  HEPTYLMAGNESIUM BROMIDE 在 platinum(IV) oxide potassium hydrogensulfate 、 氢气 作用下， 以 乙醚 、 乙醇 为溶剂， 反应 2.0h， 生成 1-(4-溴苯基)辛烷
  参考文献：
  名称：

  Franks, Stephen; Hartley, Frank R., Journal of the Chemical Society. Perkin transactions I, 1980, p. 2233 - 2237

  摘要：

  DOI：

文献信息

• Regioselective Halogenation of Arenes and Heterocycles in Hexafluoroisopropanol
  作者：Ren-Jin Tang、Thierry Milcent、Benoit Crousse

  DOI：10.1021/acs.joc.7b02920

  日期：2018.1.19

  halogenation of arenes and heterocycles with N-halosuccinimides in fluorinated alcohols is disclosed. Under mild condition reactions, a wide diversity of halogenated arenes are obtained in good yields with high regioselectivity. Additionally, the versatility of the method is demonstrated by the development of one-pot sequential halogenation and halogenation-Suzuki cross-coupling reactions.

  公开了在氟化醇中用N-卤代琥珀酰亚胺对芳烃和杂环的区域选择性卤化。在温和的条件下反应，可以以高收率和高区域选择性获得各种各样的卤代芳烃。另外，该方法的多功能性通过一锅法连续卤化和卤化-Suzuki交叉偶联反应得到证明。
• Synthesis of Highly Functionalized Pyridines for Planar Polymers. Maximized π-Conjugation in Electron Deficient Macromolecules
  作者：Yuxing Yao、Jaydeep J. S. Lamba、James M. Tour

  DOI：10.1021/ja972744r

  日期：1998.4.1

  capture of the bis(isocyanate) effects the high-yielding conversion of carbonyl moieties to the tert-butoxycarbonyl-protected aryldiamine. Lithium−halogen exchange on the protected diaminopyridine followed by stannylation affords the required dimetalated diamine monomer. Treatment of the pyridine(dibromodiacid chloride) with mild cuprates or organocopper reagents affords the pyridine(dibromodiketones)

  描述了平面聚吡啶的合成路线。从 2,5-二甲基吡啶开始，通过 2,5-二溴吡啶-3,6-二羧酸作为常用中间体，制备用于逐步增长聚合的两种吡啶单体。二元羧酸是制备用于逐步增长聚合的 A 和 B 组分的关键中间体。在制备用于缩聚的单体时，公开了敏感吡啶核上的几种新转化。双(Curtius) 重排，然后用叔丁醇捕获双(异氰酸酯) 会影响羰基部分向叔丁氧羰基保护的芳基二胺的高产率转化。在受保护的二氨基吡啶上进行锂-卤素交换，然后进行甲锡酰化，得到所需的二金属化二胺单体。用温和的铜酸盐或有机铜试剂处理吡啶（二溴二酰氯）得到吡啶（二溴二酮）。Pd/Cu 催化的二溴吡啶偶联与...
• Phenyltellanyl Triflate (PhTeOTf) as a Powerful Tellurophilic Activator in the Friedel–Crafts Reaction
  作者：Takeshi Yamada、Eri Mishima、Kazuya Ueki、Shigeru Yamago

  DOI：10.1246/cl.2008.650

  日期：2008.6.5

  A powerful electrophilic activator for organotellurium compounds was developed. Phenyltellanyl triflate (PhTeOTf) prepared in situ from dibromophenyl(phenyltellanyl)telluride and AgOTf selectively activated various organotellurium compounds in the presence of aromatic compounds yielding the corresponding Friedel–Crafts reaction products. Polymer-end organotellurium compounds were also activated by PhTeOTf providing the corresponding end-functionalized polymers.

  开发了一种用于有机碲化合物的高效亲电活化剂。由二溴苯基(苯基碲基)碲化物和AgOTf原位制备的苯基碲基三氟甲磺酸盐（PhTeOTf）在芳香化合物的存在下选择性地活化了各种有机碲化合物，生成了相应的Friedel-Crafts反应产物。聚合物端基有机碲化合物也能被PhTeOTf活化，提供了相应的端基功能化聚合物。
• PHOTOBASE GENERATOR
  申请人：SAN-APRO LTD.

  公开号：US20160009737A1

  公开（公告）日：2016-01-14

  There is provided a photobase generator and a photosensitive resin composition containing the photobase generator. The photobase generator includes an ammonium salt represented by general formula (1). In formula (1), R 1 to R 4 independently represent an alkyl group having 1 to 18 carbon atoms or Ar, wherein at least one of R 1 to R 4 represents Ar; Ar represents an aryl group having 6 to 14 carbon atoms (excluding carbon atoms contained in a substituent as mentioned below), wherein some of hydrogen atoms in the aryl group may be independently substituted by an alkyl group having 1 to 18 carbon atoms or the like; Y + represents an ammonio group represented by general formula (2) or (3); and E represents a hydrogen atom or a group represented by general formula (5).

  提供了一种光碱基发生剂和含有该光碱基发生剂的光敏树脂组合物。光碱基发生剂包括由通式（1）表示的铵盐。在通式（1）中，R1至R4分别代表具有1至18个碳原子的烷基基团或Ar，其中至少有一个R1至R4代表Ar；Ar代表具有6至14个碳原子的芳基团（不包括下文所述取代基中的碳原子），芳基团中的一些氢原子可以独立地被具有1至18个碳原子的烷基基团或类似物所取代；Y+表示由通式（2）或（3）表示的铵基团；E表示氢原子或由通式（5）表示的基团。
• Method for producing biaryl compound
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20030158419A1

  公开（公告）日：2003-08-21

  There is disclosed a method for producing a biaryl compound of formula (I): 1 wherein R 1 is the same or different and independently denotes a substituted or unsubstituted hydrocarbon group or the like, A and B denote an aromatic hydrocarbon ring having from 6 to 14 carbon atoms or the like, k and m independently denote an integer of from 0 to 5, and 1 denotes an integer of 1 or 2, which method is characterized by reacting an aromatic compound of formula (II): 2 wherein R 1 , k and l denote the same as defined above, and X 1 denotes a leaving group, with a Grignard reagent of formula (III): 3 (R 2 ). 9MgX 2 (IIIg) wherein R 2 , B, and m denote the same as defined above and X 2 denotes chlorine or the like, in the presence of a cyclic ether, or an acyclic ether having two or more ether oxygens in the molecule and a nickel catalyst.

  揭示了一种制备式(I)的联苯化合物的方法：其中R1相同或不同且独立地表示取代或未取代的碳氢化合物基团或类似物，A和B表示具有6至14个碳原子或类似物的芳香碳氢环，k和m独立地表示0至5的整数，l表示1或2的整数，该方法的特征在于将式(II)的芳香化合物：其中R1、k和l的定义与上述相同，X1表示离去基团，与式(III)的格氏试剂反应：其中R2、B和m的定义与上述相同，X2表示氯或类似物，在环醚或分子中具有两个或更多个醚氧原子的无环醚和镍催化剂的存在下。

表征谱图