1-溴-4-十二烷基苯 | 126930-72-1

• 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-溴-4-十二烷基苯
• 中文别名: 1-溴-4-正十二烷基苯；4-十二烷基溴苯；1-溴正十二烷基苯
• 英文名称: 1-bromo-4-dodecylbenzene
• 英文别名: 4-Bromododecylbenzene；p-bromododecylbenzene
• CAS: 126930-72-1
• 化学式: C₁₈H₂₉Br
• 分子量: 325.332
• InChiKey: RFFMRBISTZHCNY-UHFFFAOYSA-N

物化性质

• 熔点：
  17 °C
• 沸点：
  191°C 4mm
• 密度：
  1,07 g/cm3
• 闪点：
  17 °C

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  19
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 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：
  2903999090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  室温和干燥环境

SDS

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Section I.Chemical Product and Company Identification
Chemical Name 1-Bromo-4-n-dodecylbenzene
Portland OR
Synonym Benzene, 1-bromo-4-dodecyl- (9 CI)
Chemical Formula C18H29Br
CAS Number 126930-72-1

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Section II. Composition and Information on Ingredients
Chemical Name CAS Number Percent (%) TLV/PEL Toxicology Data
1-Bromo-4-n-dodecylbenzene 126930-72-1 Min. 95.0 Not available. Not available.
(GC)

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Section III. Hazards Identification
Acute Health Effects No specific information is available in our data base regarding the toxic effects of this material for humans. However,
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound.
Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
Chronic Health Effects CARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.

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Section IV. First Aid Measures
Eye Contact Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
minutes. Get medical attention.
Skin Contact In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing
before reuse. Thoroughly clean shoes before reuse. Get medical attention.
Inhalation If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
improve.
Ingestion INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the
toxic material was ingested; the absence of such signs, however, is not conclusive.

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Section V. Fire and Explosion Data
Not available.
Flammability May be combustible at high temperature. Auto-Ignition
Flash Points Flammable Limits Not available.
Not available.
Combustion Products
These products are toxic carbon oxides (CO, CO 2), halogenated compounds.
Fire Hazards
Not available.
Explosion Hazards Risks of explosion of the product in presence of mechanical impact: Not available.
Risks of explosion of the product in presence of static discharge: Not available.
Fire Fighting Media
SMALL FIRE: Use DRY chemical powder.
LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
and Instructions
Consult with local fire authorities before attempting large scale fire-fighting operations.
Continued on Next Page
1-Bromo-4-n-dodecylbenzene

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Section VI. Accidental Release Measures
Spill Cleanup Absorb with an inert material and put the spilled material in an appropriate waste disposal. Finish cleaning the spill by
Instructions rinsing any contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for
assistance on disposal.

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Section VII. Handling and Storage
Handling and Storage Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and store in a dry, cool
place. Avoid excessive heat and light. Do not breathe gas/fumes/ vapor/spray.
Information
Always store away from incompatible compounds such as oxidizing agents.

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Section VIII. Exposure Controls/Personal Protection
Engineering Controls Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their
respective threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location.
Personal Protection Splash goggles. Lab coat. Vapor respirator. Boots. Gloves. Suggested protective clothing might not be sufficient;
consult a specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
Exposure Limits
Not available.

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Section IX. Physical and Chemical Properties
Physical state @ 20°C Liquid. (Clear, colorless.) Solubility
Not available.
1.07 (water=1)
Specific Gravity
Molecular Weight Partition Coefficient
325.33 Not available.
Boiling Point Vapor Pressure
Not available. Not available.
Melting Point (Freezing Point) 17°C (62.6°F) Vapor Density Not available.
Refractive Index 1.504 - 1.507 Volatility Not available.
Critical Temperature Not available. Odor Not available.
Viscosity Not available. Taste Not available.

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Section X. Stability and Reactivity Data
Stability

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This material is stable if stored under proper conditions. (See Section VII for instructions)
Conditions of Instability Avoid excessive heat and light.
Incompatibilities
Reactive with oxidizing agents.

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Section XI. Toxicological Information
RTECS Number Not available.
Routes of Exposure Eye Contact. Ingestion. Inhalation.
Toxicity Data Not available.
CARCINOGENIC EFFECTS : Not available.
Chronic Toxic Effects
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
Acute Toxic Effects No specific information is available in our data base regarding the toxic effects of this material for humans. However,
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound.
Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
Continued on Next Page
1-Bromo-4-n-dodecylbenzene

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Section XII. Ecological Information
Ecotoxicity Not available.
Environmental Fate Not available.

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Section XIII. Disposal Considerations
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
Waste Disposal
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
federal, state and local regulations when disposing of the substance.

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Section XIV. Transport Information
DOT Classification Not a DOT controlled material (United States).
PIN Number Not applicable.
Proper Shipping Name
Not applicable.
Packing Group (PG) Not applicable.
DOT Pictograms

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Section XV. Other Regulatory Information and Pictograms
TSCA Chemical Inventory This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40
CFR 720.36 (C) for those products not on the inventory list:
(EPA)
(i) These products are supplied solely for use in research and development by or under the supervision of a technically
qualified individual as defined in 40 CFR 720.0 et sec.
(ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
supplied on an MSDS sheet.
WHMIS Classification Not available.
(Canada)
EINECS Number (EEC) Not available.
EEC Risk Statements Not available.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1-溴-4-十二烷基苯 在 正丁基锂 、 硼酸三甲酯 、 盐酸 、 水 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 1.25h， 生成 (4-十二烷基苯基)硼酸
  参考文献：
  名称：

  1,2-双（5-芳基-2-苯基乙炔基噻吩-3-基）六氟环戊烯衍生物的合成和光致变色

  摘要：

  已经制备了具有脂质互补元素并经历了分子几何中的大的光诱导变化的光致变色二噻吩基乙烯。此外，已经开发了区域选择性方法用于制备分别在噻吩部分的C 2和C 5处含有苯基乙炔基和各种芳基取代基的二噻吩基乙烯。观察到制备的光致变色化合物经历可逆的光异构化。它们的吸收性质，反应的量子产率，并且在photoconversions测定Ñ正己烷。

  DOI：

  10.1016/j.jphotochem.2010.04.013
• 作为产物：
  描述：

  正十二烷基苯 在 溴 、 碘 、 铁粉 作用下， 生成 1-溴-4-十二烷基苯
  参考文献：
  名称：

  Discotic liquid crystals of transition metal complexes, 31: establishment of mesomorphism and thermochromism of bis[1,2-bis(4-n-alkoxyphenyl)ethane-1,2-dithiolene]nickel complexes

  摘要：

  两系列双[1,2-双(4-正烷基苯基)乙烷-1,2-二硫醇]镍，Cn–Ni（n=1–12），和双[1,2-双(4-正烷氧基苯基)乙烷-1,2-二硫醇]镍，CnO–Ni（n=1–12, 14, 16, 18）已被合成。通过使用不同的扫描量热法、偏光显微镜、温度依赖性X射线衍射技术、电子光谱和循环伏安法，研究了它们的介晶性、热变色性、超分子结构和π受体性质。从X射线衍射和电子光谱结果来看，确定了CnO–Ni 复合物对于 n≤10 展现两种不同颜色的盘状层状（DL）介晶相，而 Cn–Ni 复合物均无介晶相，并且热变色性（棕色→绿色）归因于从 Ni–Ni 键合二聚体到 Ni–S 键合二聚体的缓慢转变。

  DOI：

  10.1039/b007135h

文献信息

• [EN] ORGANIC SEMICONDUCTING COMPOUNDS<br/>[FR] COMPOSÉS SEMI-CONDUCTEURS ORGANIQUES
  申请人：MERCK PATENT GMBH

  公开号：WO2018065350A1

  公开（公告）日：2018-04-12

  The invention relates to novel organic semiconducting compounds containing apolycyclicunit, to methods for their preparation and educts or intermediates used therein, to compositions, polymer blends and formulations containing them, to the use of the compounds, compositions and polymer blends as organic semiconductors in, or for the preparation of, organic electronic (OE) devices, especially organic photovoltaic (OPV) devices, perovskite-based solar cell (PSC) devices, organic photodetectors (OPD), organic field effect transistors (OFET) and organic light emitting diodes (OLED), and to OE, OPV, PSC, OPD,OFET and OLED devices comprising these compounds, compositions or polymer blends.

  这项发明涉及含有多环单元的新型有机半导体化合物，涉及它们的制备方法和在其中使用的底物或中间体，涉及含有它们的组合物、聚合物混合物和配方，涉及将这些化合物、组合物和聚合物混合物用作有机半导体在有机电子（OE）器件中的使用，尤其是有机光伏（OPV）器件、钙钛矿太阳能电池（PSC）器件、有机光电探测器（OPD）、有机场效应晶体管（OFET）和有机发光二极管（OLED）的制备，以及包含这些化合物、组合物或聚合物混合物的OE、OPV、PSC、OPD、OFET和OLED器件。
• NOVEL POLYCYCLIC POLYMER COMPRISING THIOPHENE UNITS, A METHOD OF PRODUCING AND USES OF SUCH POLYMER
  申请人：MERCK PATENT GMBH

  公开号：US20160301008A1

  公开（公告）日：2016-10-13

  The present invention relates to a novel polycyclic polymer comprising fused thiophene units. The present invention also relates to a method for producing such polymer as well as the use of such polymer, particularly in organoelectronic applications.

  本发明涉及一种包含融合噻吩单元的新型多环聚合物。本发明还涉及一种生产这种聚合物的方法，以及特别是在有机电子应用中使用这种聚合物的用途。
• 化合物及びその用途
  申请人：国立大学法人大阪大学

  公开号：JP2019064927A

  公开（公告）日：2019-04-25

  【課題】 単分子膜の機能を充分に発揮する方法を提供する。【解決手段】 下記一般式（１）で表されることを特徴とする化合物である。Ａ−Ｂ−Ｃ−Ｌ （１）（式中、Ａ及びＣは、それぞれ、ヘテロ原子及び／又は環状構造基が結合していてもよい直鎖状の炭化水素基を表す。Ｂは、環状構造基を表す。Ｌは、−Ｐ（＝Ｏ）（ＯＲ）２、−Ｏ−Ｐ（＝Ｏ）（ＯＲ）２、−Ｓｉ（ＯＲ）３、又は、−ＳｉＤ３を表す。Ｒは、同一又は異なって、水素原子又は炭化水素基を表す。Ｄは、同一又は異なって、ハロゲン原子を表す。）【選択図】図１

  提供方法充分发挥单分子膜功能的化合物，其特征在于以下通式（1）所表示。A-B-C-L（1）（式中，A和C分别表示可以连接异原子和/或环状结构基的直链烃基。B表示环状结构基。L表示-P(=O)(OR)2、-O-P(=O)(OR)2、-Si(OR)3或-SiD3。R表示相同或不同的氢原子或烃基。D表示相同或不同的卤素原子。）【选图】图1
• METAPHENYLENE POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME
  申请人：Ohuchi Kazuei

  公开号：US20110272686A1

  公开（公告）日：2011-11-10

  A polymer compound comprising a constitutional unit represented by the following formula (2) and a constitutional unit represented by the following formula (1), wherein R 1 represents an alkyl group or the like, and R 2 and R 3 each independently represent a hydrogen atom or the like, -Ar 1 -  (2) wherein Ar 1 represents an arylene group or the like. A hydrogen atom in the group represented by Ar 1 may be substituted by an alkyl group, aryl group or the like.

  一种聚合物化合物，包括由以下化学式（2）表示的构造单元和由以下化学式（1）表示的构造单元，其中R1代表烷基基团或类似物，R2和R3各自独立地代表氢原子或类似物，-Ar1-（2），其中Ar1代表芳基基团或类似物。在由Ar1表示的基团中，氢原子可以被烷基基团、芳基团或类似物替代。
• 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。