1,5-二环己基并咪唑 | 80964-44-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1,5-二环己基并咪唑
• 英文名称: 1,5-dicyclohexyl imidazole
• 英文别名: 1,5-Dicyclohexylimidazole；DCHIm；DCIM
• CAS: 80964-44-9
• 化学式: C₁₅H₂₄N₂
• mdl: MFCD00012323
• 分子量: 232.369
• InChiKey: RPUYMGRFOKMRSB-UHFFFAOYSA-N

物化性质

• 熔点：
  114-116 °C (lit.)
• 沸点：
  410.3±14.0 °C(Predicted)
• 密度：
  1.13±0.1 g/cm3(Predicted)
• 稳定性/保质期：
  避免使用强氧化剂。

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 危险标志：
  GHS07
• 危险性描述：
  H315,H319,H335
• 危险性防范说明：
  P261,P305 + P351 + P338
• 储存条件：
  请将贮藏器保持密封状态，并存放在阴凉、干燥处。同时，确保工作环境具备良好的通风或排气设施。

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 1,5-Dicyclohexylimidazole
CAS-No. : 80964-44-9
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 irritation (Category 2)
Eye irritation (Category 2)
Specific target organ toxicity - single exposure (Category 3)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Irritating to eyes, respiratory system and skin.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Warning
Hazard statement(s)
H315 Causes skin irritation.
H319 Causes serious eye irritation.
H335 May cause respiratory irritation.
Precautionary statement(s)
P261 Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R36/37/38 Irritating to eyes, respiratory system and skin.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S37/39 Wear suitable gloves and eye/face protection.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C15H24N2
Molecular Weight : 232,36 g/mol
Component Concentration
1,5-Dicyclohexylimidazole
CAS-No. 80964-44-9 -

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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
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
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
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
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, nitrogen oxides (NOx)
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 contact with skin and eyes. 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.
Specific end use(s)
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
Safety glasses with side-shields conforming to EN166 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
impervious clothing, The type of protective equipment must be selected according to the
concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
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: crystalline
Colour: off-white
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 114 - 116 °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 no data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition 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
no data available
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
Inhalation - May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. Causes respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. Causes skin irritation.
Eyes Causes serious eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
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: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
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：

  1,5-二环己基并咪唑 在 正丁基锂 作用下， 以 乙醚 、 正己烷 、 甲苯 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  捕集的[小α]-氢化物迁移激活了磷配体以用于CH插入

  摘要：

  庞大的三（卡宾）硼酸酯配体提供了进入高自旋铁（II）磷酸酯络合物的通道。复杂的PhB（MesIm）3 FeP（H）Ph是热不稳定的，并且[PPh]基团插入支持配体的CH键中是...

  DOI：

  10.1039/c6cc07864h
• 作为产物：
  描述：

  环己烷基甲醛 在 calcium chloride 作用下， 以 甲醇 、 苯 为溶剂， 反应 27.0h， 生成 1,5-二环己基并咪唑
  参考文献：
  名称：

  蒽血红素环芳烃。一氧化碳、分子氧和 RNC 结合的空间效应

  摘要：

  在donne les constantes d'equilibre en solution benzenique pour la fixation des imidazoles, de CO, O 2 et isonitriles a deux hemes cyclophanes anthraceniques renfermant un cycle anthracene mobile piege sur l'heme。Le caractere du cyclophane est tres similaire du point de vue sterique a celui des hemoproteines

  DOI：

  10.1021/ja00289a012
• 作为试剂：
  描述：

  6-甲基-5-庚烯-2-酮 在 2,2′-((1E,1′E)-(1,2-phenylenebis(azanylylidene))bis(methanylylidene))diphenolmanganese(II) 双氧水 、 1,5-二环己基并咪唑 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.25h， 以62%的产率得到5,6-epoxy-6-methyl-2-heptanone
  参考文献：
  名称：

  一种使用水性过氧化氢和锰Salophen催化剂进行烯烃环氧化的简单通用方法

  摘要：

  我们描述了一种简单而通用的方法，该方法用于使用锰Salophen催化剂与H 2 O 2水溶液催化多种烯烃（例如，酮，酯和卤代烷）的环氧化反应。低催化剂负载，短反应时间和简单的反应设置（例如，无需pH缓冲液）是系统的显着特征，这将H 2 O 2作为氧化剂的优势与基于Salen的多功能性和模块性结合在一起催化剂。

  DOI：

  10.1016/j.tetlet.2006.01.074

文献信息

• Method for treating fibrotic diseases or other indications with imidazolium agents
  申请人：Alteon, Inc.

  公开号：US20030176426A1

  公开（公告）日：2003-09-18

  Provided is a method of treating or ameliorating an indication of the invention in an animal, including a human, by administering an effective amount of a compound of the formula I: 1 wherein R 1 , R 2 , M, X and Z are as described supra. Also provided are certain imidazolium compounds and pharmaceutical compositions containing the imidazolium compounds.

  提供了一种治疗或改善动物（包括人类）发明的征兆的方法，通过给予公式I的有效量的化合物： 1 其中R 1 ，R 2 ，M，X和Z如上所述。还提供了一些咪唑啉化合物和包含咪唑啉化合物的药物组合物。
• Thiazole, imidazole and oxazole compounds and treatments of disorders associated with protein aging
  申请人：——

  公开号：US20020022622A1

  公开（公告）日：2002-02-21

  Provided are, among other things, compounds of formula I or IA, 1 . Also provided are methods of treatment with such compounds.

  提供的是公式I或IA,1的化合物，以及使用这些化合物进行治疗的方法。
• Method for treating glaucoma IIB
  申请人：——

  公开号：US20020119970A1

  公开（公告）日：2002-08-29

  Provided is a method of decreasing intraocular pressure or improving ocular accommodation in an animal, including a human, comprising administering an intraocular pressure decreasing amount or ocular accommodation improving amount of a compound of the formula I or IA, 1 wherein J is oxygen, sulfur, or N—R d .

  提供了一种降低动物（包括人类）眼内压或改善眼睛调节的方法，包括给予化合物I或IA的一定量，其中J是氧、硫或N-Rd。
• Heme−Copper−Dioxygen Complexes: Toward Understanding Ligand-Environmental Effects on the Coordination Geometry, Electronic Structure, and Reactivity
  作者：Zakaria Halime、Matthew T. Kieber-Emmons、Munzarin F. Qayyum、Biplab Mondal、Thirumanavelan Gandhi、Simona C. Puiu、Eduardo E. Chufán、Amy A. N. Sarjeant、Keith O. Hodgson、Britt Hedman、Edward I. Solomon、Kenneth D. Karlin

  DOI：10.1021/ic9020993

  日期：2010.4.19

  and more complete electronic description of the high-spin heme−peroxo−copper complexes 1 and 2, which establish μ-(O22−) side-on to the FeIII and end-on to CuII (μ-η2:η1) binding for the complex 1 but side-on/side-on (μ-η2:η2) μ-peroxo coordination for the complex 2. We also compare and summarize the differences and similarities of these two complexes in their reactivity toward CO, PPh3, acid, and phenols

  配体的性质是控制配位化学结构和反应性的一个重要方面。结合我们对与细胞色素c氧化酶双氧还原化学相关的血红素-铜-氧反应性的研究，我们比较了两种高自旋血红素-过氧-铜 [Fe III O 2 2- Cu II ] +的分子和电子结构含有 N 4四齿 ( 1 ) 或 N 3三齿 ( 2 ) 的配合物) 铜配体。结合先前报道的和新的共振拉曼和 EXAFS 数据与密度泛函理论计算相结合，我们报告了高自旋血红素-过氧-铜配合物1和2的几何结构和更完整的电子描述，它们建立了 μ-(O 2 2 − ) 侧面与 Fe III和端部与 Cu II (μ-η 2 :η 1 ) 结合，与复合物1结合，但侧面/侧面 (μ-η 2 :η 2 ) μ-peroxo复杂2 的协调. 我们还比较和总结了这两种配合物在对 CO、PPh 3、酸和酚类的反应性方面的差异和相似之处。μ-oxo 配合物2a的新 X 射线结构与先前报道的1a
• Tuning the Geometric and Electronic Structure of Synthetic High-Valent Heme Iron(IV)-Oxo Models in the Presence of a Lewis Acid and Various Axial Ligands
  作者：Melanie A. Ehudin、Leland B. Gee、Sinan Sabuncu、Augustin Braun、Pierre Moënne-Loccoz、Britt Hedman、Keith O. Hodgson、Edward I. Solomon、Kenneth D. Karlin

  DOI：10.1021/jacs.9b00795

  日期：2019.4.10

  of the protic Lewis acid, 2,6-lutidinium triflate (LutH+), with (or without) DCHIm. Mössbauer, rR, and XAS spectroscopic data indicated the formation of molecular Lewis acid ferryl adducts (rather than full protonation). The reduction potentials of these novel Lewis acid adducts were bracketed through addition of outer-sphere reductants. The oxidizing capabilities of the ferryl species with or without

  在所涉及的含血红素酶（P-450s、过氧化物酶、过氧化氢酶和细胞色素 c 氧化酶）的催化循环中，观察到或提出了高价弗瑞尔物种（例如 (Por)FeIV=O、Cmpd-II）的关键氧化中间体在生物呼吸和氧化代谢中。在此，制备了各种轴向连接的铁 (IV)-氧代复合物以检查碱基身份的影响。这些是通过添加各种轴向配体（1,5-二环己基咪唑 (DCHIm)、系留咪唑系统和 3,5-二甲氧基苯酚盐和咪唑盐的钠衍生物）产生的。通过紫外-可见光、电子顺磁共振 (EPR)、57Fe Mössbauer、Fe X 射线吸收 (XAS)、和 54/57Fe 共振拉曼 (rR) 光谱以确认它们的形成并比较这些血红素铁 (IV)-氧代物种的电子和几何结构上的轴向配体扰动。穆斯堡尔研究证实，轴向连接的衍生物是铁 (IV) 和六配位配合物。XAS 和 54/57Fe rR 数据与铁氧键的轻微伸长相关，随着轴向配体的捐赠增加。第一个报道的合成