1,4-bis(bromomethyl)-2,5-bis(decyloxy)benzene | 129236-96-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,4-bis(bromomethyl)-2,5-bis(decyloxy)benzene
• 英文别名: 1,4-Bis(bromomethyl)-2,5-didecoxybenzene
• CAS: 129236-96-0
• 化学式: C₂₈H₄₈Br₂O₂
• 分子量: 576.496
• InChiKey: BBNYNVCUJIALRR-UHFFFAOYSA-N

物化性质

• 熔点：
  71-74 °C(lit.)
• 沸点：
  575.4±45.0 °C(Predicted)
• 密度：
  1.168±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  12
• 重原子数：
  32
• 可旋转键数：
  22
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 安全说明：
  S26
• 危险标志：
  GHS05
• 危险类别码：
  R34
• 危险品运输编号：
  UN 1759 8/PG 2
• 危险性描述：
  H314
• 危险性防范说明：
  P280,P305 + P351 + P338,P310
• 海关编码：
  2909309090

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
: 2,5-Bis(bromomethyl)-1,4-bis(3′,7′-
Product name
dimethyloctyloxy)benzene
CAS-No. : 129236-96-0
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Skin corrosion (Category 1B)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Causes burns.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Danger
Hazard statement(s)
H314 Causes severe skin burns and eye damage.
Precautionary statement(s)
P280 Wear protective gloves/ protective clothing/ eye protection/ face
protection.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
P310 Immediately call a POISON CENTER or doctor/ physician.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R34 Causes burns.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection.
S45 In case of accident or if you feel unwell, seek medical advice immediately
(show the label where possible).
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C28H48Br2O2
Molecular Weight : 576,49 g/mol
Component Concentration
2,5-Bis(bromomethyl)-1,4-bis(3',7'-dimethyloctyloxy)benzene
CAS-No. 129236-96-0 -

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Section 4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Take off contaminated clothing and shoes immediately. Wash off with soap and plenty of water. Consult a
physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with
water. Consult a physician.
Most important symptoms and effects, both acute and delayed
Cough, Shortness of breath, Headache, Nausea, Vomiting
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, Hydrogen bromide gas
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Moisture sensitive.
Specific end uses
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
respirator type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering
controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use
respirators and components tested and approved under appropriate government standards such
as NIOSH (US) or CEN (EU).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: solid
Colour: yellow
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 71 - 74 °C - lit.
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility insoluble
o) Partition coefficient: n- no data available
octanol/water
p) Autoignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
Avoid moisture.
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. Material is extremely destructive to the tissue of
the mucous membranes and upper respiratory tract.
Ingestion May be harmful if swallowed. Causes burns.
Skin May be harmful if absorbed through skin. Causes skin burns.
Eyes Causes eye burns.
Signs and Symptoms of Exposure
Cough, Shortness of breath, Headache, Nausea, Vomiting
Additional Information
RTECS: Not available

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Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material. Dissolve or mix the material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: 1759 IMDG: 1759 IATA: 1759
UN proper shipping name
ADR/RID: CORROSIVE SOLID, N.O.S. (2,5-Bis(bromomethyl)-1,4-bis(3',7'-dimethyloctyloxy)benzene)
IMDG: CORROSIVE SOLID, N.O.S. (2,5-Bis(bromomethyl)-1,4-bis(3',7'-dimethyloctyloxy)benzene)
IATA: Corrosive solid, n.o.s. (2,5-Bis(bromomethyl)-1,4-bis(3',7'-dimethyloctyloxy)benzene)
Transport hazard class(es)
ADR/RID: 8 IMDG: 8 IATA: 8
Packaging group
ADR/RID: II IMDG: II IATA: II
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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Section 15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
no data available

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Section 16. OTHER INFORMATION
Further information
Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

反应信息

• 作为反应物：
  描述：

  1,4-bis(bromomethyl)-2,5-bis(decyloxy)benzene 在 碘 、 乙醇锂 作用下， 以 甲苯 为溶剂， 反应 3.17h， 生成 2,5-bis(decyloxy)-1,4-bis[(2,5-didecoxy-4-formyl)phenylenevinylene]benzene
  参考文献：
  名称：

  Design and Synthesis of Metal Ion-Recognition-Induced Conjugated Polymers:  An Approach to Metal Ion Sensory Materials

  摘要：

  The synthesis and metal ion responsive properties of two 2,2'-bipyridyl-phenylene-vinylene-based polymers is reported. These polymers are designed to be partially conjugated in their metal-free state and fully conjugated when exposed to metal ions so that the ion-induced conjugation enhancement can be transduced into a measurable signal. It is found that these polymers exhibit highly ionochromic effects with a wide variety of transition and main group metal ions excluding metal ions of the alkali and alkaline earth groups. For instance, both absorption and fluorescence emission bands of the polymers upon exposure to metal ions can be red-shifted up to 120 nm, depending on the metal ions present and the polymers used.

  DOI：

  10.1021/ja962229d
• 作为产物：
  描述：

  癸基溴 在 硫酸 、 sodium bromide 、 potassium hydroxide 作用下， 以 溶剂黄146 、 二甲基亚砜 为溶剂， 生成 1,4-bis(bromomethyl)-2,5-bis(decyloxy)benzene
  参考文献：
  名称：

  聚[（亚芳基亚乙炔基） - ALT - （亚芳基亚乙烯基）]基于蒽嵌蒽醌及其衍生物S：合成和光物理，电化学，电致发光，和光伏特性

  摘要：

  蒽酮及其衍生物是大型多环芳族化合物（PAC），对于将其掺入可溶性共轭聚合物的结构提出了许多挑战。首次，这组PAC的被用作用于共聚物（合成的构建块P1 - P5）基于聚[（亚芳基亚乙炔基） - ALT - （亚芳基亚乙烯基）] S骨架（-Ph-C≡C –Anth–C≡C–Ph–CH═CH–Ph–CH═CH-）n。在P1 - P5的合成过程中，为了调节聚合物的性能，引入了不同的烷氧基侧链。在共聚物系列中，只有P1（在蒽上含有蒽酮和支链的2-乙基己氧基侧链），P2及P3（其为含羰基的蒽嵌蒽醌转化为蒽嵌蒽含烷氧基取代基）是可溶的。报道了P1 - P3的光物理，电化学，电致发光和光伏特性，并就侧链的影响进行了比较和讨论。

  DOI：

  10.1021/acs.macromol.7b02136

文献信息

• Efficient Synthesis of Novel Bis(dipyrromethanes) with Versatile Linkers via Indium(III) Chloride-Catalyzed Condensation of Pyrrole and Dialdehydes
  作者：Hongbin Zhao、Junxu Liao、Jingheng Ning、Yujia Xie、Yingjie Cao、Liang Chen、Deliang Yang、Bangying Wang

  DOI：10.1002/adsc.201000336

  日期：2010.11.22

  series of novel bis(dipyrromethanes) with versatile arylene linkers through an indi- um(III) chloride-catalyzed condensation reaction between various dialdehydes and pyrrole has been developed. This protocol is applicable to constructing a variety of bis(dipyrromethanes) with diverse functional linkers, which provides a powerful route to construct libraries of functionalized porphyrin dimers and even

  已经开发出了一种新的高效温和的方案，该方案可通过氯化二苯（III）催化各种二醛与吡咯之间的缩合反应合成一系列具有多功能亚芳基接头的新型双（双吡咯甲烷）。该协议适用于构建具有各种功能连接子的各种双（二吡咯甲烷），这为构建功能化的卟啉二聚体甚至多卟啉阵列的库提供了一条有力的途径。
• Isothermal and non-isothermal cold crystallization of tetrabenzofluorene (TBF) molecules
  作者：A. A. Boopathi、Srinivasan Sampath、T. Narasimhaswamy

  DOI：10.1039/c8nj06514d

  日期：——

  Design and synthesis of tetrabenzo[a,c,g,i]fluorene (TBF) derivatives are carried out to investigate the isothermal and non-isothermal cold crystallization (CC) behavior by various spectroscopic and analytical techniques. The unprecedented CC exhibited by TBF molecules is examined by systematic modification of alkyl chain length (C8–C18 even carbons) on both sides of the central phenyl ring. The CC

  设计并合成了四苯并[ a，c，g，i ]芴（TBF）衍生物，以通过各种光谱和分析技术研究等温和非等温冷结晶（CC）行为。通过系统性地修饰中心苯环两侧的烷基链长（C8–C18甚至碳原子），检查了TBF分子表现出的空前的CC。通过热阶段偏振显微镜（HOPM），差示扫描量热法（DSC）和可变温度粉末X射线衍射（VT-PXRD）检查TBF衍生物的CC 。实验观察表明，随着烷基链长度的增加，C 10 H 21到C 16 H 33时，CC温度和活化能显着提高。非等温CC活化能使用Kissinger方程计算。通过采用DSC动力学参数，可以计算出TBF分子（TBFC10至TBFC18）的总活化能，范围为62.18–90.35 kJ mol -1。此外，绘制了在五个不同温度下等温CC动力学的Avrami因子，这表明随着温度的升高，CC时间会减少。
• A Convenient Synthetic Route to 2,5‐Dialkoxyterephthalaldehyde
  作者：Pin Shao、Zhen Li、Jianlin Luo、Hongli Wang、Jingui Qin

  DOI：10.1081/scc-200046485

  日期：2005.1.1

  Abstract A convenient method for synthesizing 2,5‐dialkoxyterephthalaldehyde by oxidation of 1,4‐dialkoxy‐2,5‐bis(halogenomethyl)benzene with dimethyl sulfoxide in one step is described.

  摘要 描述了一种用二甲亚砜一步氧化 1,4-二烷氧基-2,5-双（卤代甲基）苯合成 2,5-二烷氧基对苯二醛的简便方法。
• Dinuclear zinc(<scp>ii</scp>) salen-type Schiff-base complexes as <i>molecular tweezers</i>
  作者：Giuseppe Consiglio、Ivan Pietro Oliveri、Salvatore Cacciola、Giuseppe Maccarrone、Salvatore Failla、Santo Di Bella

  DOI：10.1039/d0dt00494d

  日期：——

  contribution, the synthesis and the unusual aggregation/deaggregation properties in solution of two dinuclear ZnII Schiff-base complexes of tetradentate Schiff-base units, having non-conjugated spacers between each molecular unit, are reported in comparison to the mononuclear model complex. Through detailed 1H NMR, DOSY NMR, optical absorption, fluorescence emission, and multivariate analysis of optical absorption

  在该贡献中，与单核模型复合物相比，报道了在四齿席夫碱单元的两个双核ZnII席夫碱基配合物的溶液中的合成和异常的聚集/解聚性质，在每个分子单元之间具有非共轭的间隔基。通过详细的1H NMR，DOSY NMR，光吸收，荧光发射以及光吸收数据的多元分析，得出了一些有趣的发现。在非配位溶剂的溶液中，这些路易斯酸性物质的特征是通过形成分子内聚集体而稳定的单体，与衍生自单核模型类似物的分子间聚集体相比，具有独特的光谱性质。相反，它们在配位溶剂中表现出典型的行为，形成稳定的加合物，显示出强荧光。与分子间聚集体相比，使用吡啶作为参考路易斯碱的解聚研究允许建立这些分子内聚集体的更大的热力学稳定性，甚至大于结合的多核络合物的聚集体的热力学稳定性。用对位的Lewis碱解聚后的光谱数据组合分析清楚地表明，形成了稳定的1：1加合物，与那些与单位物种有关的结合常数更高。因此，本发明的路易斯酸性双核络合物表现为具有强路
• Process for producing microfluidic articles
  申请人：——

  公开号：US20040042937A1

  公开（公告）日：2004-03-04

  A process for producing microfluidic articles comprises (a) preparing a photoreactive composition comprising (1) at least one reactive species that is a polymer or a polymer precursor and that is capable of undergoing an acid- or radical-initiated chemical reaction and (2) at least one multiphoton photoinitiator system; (b) exposing a portion of the composition to light sufficient to cause simultaneous absorption of at least two photons, thereby forming exposed and unexposed portions of the composition, and thereby inducing at least one acid- or radical-initiated chemical reaction in the exposed portion; and (c) removing either the exposed or the unexposed portion of the composition, so as to form a microfluidic article comprising a seamless polymer matrix that defines at least one inlet, at least one outlet, and a microfluid processing architecture that is capable of fluidic communication with the inlet and the outlet and that is otherwise fully enclosed within the polymer matrix.

  一种用于生产微流体制品的工艺包括：(a) 制备一种光活性组合物，该组合物包含(1) 至少一种反应物，该反应物是聚合物或聚合物前体，能够发生酸或自由基引发的化学反应，以及(2) 至少一种多光子光引发剂体系；(b) 将组合物的一部分暴露在足以导致同时吸收至少两个光子的光下，从而形成组合物的暴露部分和未暴露部分，并由此在暴露部分诱发至少一种酸或自由基引发的化学反应；(c) 移除组合物的暴露部分或未暴露部分，从而形成微流体制品，该制品包括无缝聚合物基体，该聚合物基体限定了至少一个入口、至少一个出口，以及一个微流体处理结构，该结构能够与入口和出口进行流体通信，并以其他方式完全封闭在聚合物基体内。