4-叔丁基-2,6-二甲基苯胺 | 42014-60-8

• 物质功能分类: 有机原料 - 氨基化合物
• 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-叔丁基-2,6-二甲基苯胺
• 中文别名: 4-叔丁基-2,6-二甲基-苯胺
• 英文名称: 2,6-dimethyl-4-tert-butylaniline
• 英文别名: 4-(tert-butyl)-2,6-dimethylaniline；2,6-dimethyl-4-t-butylaniline；2,6-dimethyl-4-(1,1-dimethylethyl)benzenamine；4-tert-butyl-2,6-dimethylaniline
• CAS: 42014-60-8
• 化学式: C₁₂H₁₉N
• mdl: MFCD00052181
• 分子量: 177.29
• InChiKey: CHHGWEBJQVWINZ-UHFFFAOYSA-N

物化性质

• 熔点：
  29-29.5 °C
• 沸点：
  96 °C
• 密度：
  0.9321 g/cm3(Temp: 25 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险等级：
  6.1
• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R20/21/22
• 海关编码：
  2921430090
• 包装等级：
  III
• 危险类别：
  6.1
• 危险性防范说明：
  P261,P280,P305+P351+P338,P311
• 危险品运输编号：
  2810
• 危险性描述：
  H302+H312,H315,H319,H331,H335
• 储存条件：
  2-8°C

SDS

Name:	4-(tert-Butyl)-2 6-dimethylaniline Material Safety Data Sheet
Synonym:
CAS:	42014-60-8

Section 1 - Chemical Product MSDS Name:4-(tert-Butyl)-2 6-dimethylaniline Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
42014-60-8	2-Fluorophenylboronic Acid	95+%	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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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# 42014-60-8: 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: Colourless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 90 deg C @0.3mm Hg
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:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C12H19N
Molecular Weight: 177.29

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 42014-60-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Fluorophenylboronic Acid - 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
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
IMO
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
RID/ADR
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 23 Do not inhale gas/fumes/vapour/spray.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 42014-60-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 42014-60-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 42014-60-8 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-叔丁基-2,6-二甲基苯胺 在 三氯化铝 tetrafluoroboric acid 、 联苯 、 sodium nitrite 作用下， 以 四氢呋喃 、 二硫化碳 、 水 为溶剂， 反应 1.5h， 生成 2,6-二甲基氟苯
  参考文献：
  名称：

  Yamato, Takehiko; Arimura, Takashi; Tashiro, Masashi, Journal of the Chemical Society. Perkin transactions I, 1987, p. 1 - 8

  摘要：

  DOI：
• 作为产物：
  描述：

  间二甲苯 在 三氯化铝 、 硝基甲烷 硝酸 、 乙酸酐 、 溶剂黄146 作用下， 以 乙醇 、 水 为溶剂， 反应 28.0h， 生成 4-叔丁基-2,6-二甲基苯胺
  参考文献：
  名称：

  Yamato, Takehiko; Arimura, Takashi; Tashiro, Masashi, Journal of the Chemical Society. Perkin transactions I, 1987, p. 1 - 8

  摘要：

  DOI：

文献信息

• REDUCTION OF AROMATIC AND ALIPHATIC NITRO COMPOUNDS BY SODIUM HYDROGEN TELLURIDE
  作者：Atsuhiro Osuka、Hirohito Shimizu、Hitomi Suzuki

  DOI：10.1246/cl.1983.1373

  日期：1983.9.5

  Various nitro compounds were effectively reduced by sodium hydrogen telluride in good yields. Thus, reductive conversion of unhindered nitrobenzenes to azoxybenzenes, sterically hindered nitrobenzenes to anilines, nitroalkanes to dimer of nitrosoalkanes, and vicinal-dinitroalkane to olefin was achieved.

  各种硝基化合物被碲化氢钠以良好的收率有效还原。因此，实现了不受阻碍的硝基苯还原转化为偶氮苯，空间位阻硝基苯还原转化为苯胺，硝基烷烃还原转化为亚硝基烷烃的二聚体，以及连位二硝基烷烃还原转化为烯烃。
• Syntheses and¹⁵N NMR Spectra of Iminodiaziridines - Ring-Expansions of 1-Aryl-3-iminodiaziridines to 1<i>H</i>- and 3a<i>H</i>-Benzimidazoles, 2<i>H</i>-Indazoles, and 5<i>H</i>-Dibenzo[<i>d</i>,<i>f</i>][1,3]diazepines
  作者：Helmut Quast、Karl-Heinz Ross、Gottfried Philipp、Manfred Hagedorn、Harald Hahn、Klaus Banert

  DOI：10.1002/ejoc.200900350

  日期：2009.8

  3-dihydro-3aH-benzimidazoles. Otherwise, 2-amino-1H-benzimidazoles and strongly fluorescent 3-amino-2H-indazoles, originating from rearrangements of the elusive 1-aryl-3-iminodiaziridines, predominate. N′,N″-Diaryl-N-hydroxyguanidine O-sulfonic acids give only rearranged products: a 2-amino-1H-benzimidazole and a 6-amino-5H-dibenzo[d,f][1.3]diazepine if aryl = phenyl, or a 2-imino-2,3-dihydro-3aH-benzimidazole

  亚氨基二氮丙啶是通过 (i) 用 N-氯胍的叔丁醇钾进行 1,3-脱氯化氢合成的，由 N,N',N"-取代的胍与次氯酸叔丁酯原位生成，以及 (ii) 碱介导的 1 ,3-从 N,N',N"-取代的羟基胍 O-磺酸中消除硫酸。在升高的温度下，（烷基亚氨基）二氮丙啶通过 1,3-移位、[2+1] 环消去反应得到异氰化物和二氮烯，以及开环消除反应得到亚烷基胍。N'-芳基-N-羟基胍O-磺酸提供（N-芳基亚氨基）二氮丙啶，但不提供1-芳基-3-亚氨基二氮丙啶，而是提供重排的异构体。含有全氘化叔丁基的前体得到重排产物，显示完全混乱。这表明 1-芳基-3-亚氨基二氮丙啶是中间体，可进行非常快速的简并价异构化。如果邻芳基位置被取代，则可获得高产率的（芳基亚氨基）二氮丙啶以及 2-亚氨基-2,3-二氢-3aH-苯​​并咪唑。否则，2-氨基-1H-苯并咪唑和强荧光 3-氨基-2H-吲唑，源自难以捉摸的 1-
• 유기발광 화합물 및 이를 포함하는 유기전계발광소자
  申请人：SFC CO., LTD. 에스에프씨 주식회사(120060087061) Corp. No ▼ 135511-0105889BRN ▼134-81-54429

  公开号：KR20150124677A

  公开（公告）日：2015-11-06

  본 발명은 하기 [화학식 1]로 표시되는 유기발광 화합물 및 이를 포함하는 유기전계발과소자에 관한 것으로서, 본 발명에 따른 유기발광 화합물은 발광 스펙트럼의 PL 양자 효율이 높아지고 반치폭이 작아지며 이를 유기전계발광소자의 발광층에 게스트로 사용할 경우에 효율의 증가 및 반치폭 감소에 기인한 색순도 향상을 얻을 수 있다. 특히, 공진 구조를 적용할 경우에 반치폭이 넓은 스펙트럼을 가지는 물질에 비해 추가적인 효율의 향상을 얻을 수 있다. [화학식 1]

  本发明涉及如下[化学式1]所示的有机发光化合物及包含该化合物的有机电致发光器件，根据本发明，有机发光化合物的发光光谱的PL量子效率提高，半峰宽变窄，当其作为有机电致发光器件发光层的客体使用时，可以获得由于效率提升和半峰宽减少导致的色纯度提高。尤其是，在应用共振结构时，与具有较宽半峰宽光谱的物质相比，可以获得额外的效率提升。[化学式1]
• Supramolecular Organization of Dye Molecules in Zeolite L Channels: Synthesis, Properties, and Composite Materials
  作者：Pengpeng Cao、Oleg Khorev、André Devaux、Lucie Sägesser、Andreas Kunzmann、Achim Ecker、Robert Häner、Dominik Brühwiler、Gion Calzaferri、Peter Belser

  DOI：10.1002/chem.201504404

  日期：2016.3.14

  Sequential insertion of different dyes into the 1D channels of zeolite L (ZL) leads to supramolecular sandwich structures and allows the formation of sophisticated antenna composites for light harvesting, transport, and trapping. The synthesis and properties of dye molecules, host materials, composites, and composites embedded in polymer matrices, including two‐ and three‐color antenna systems, are

  将不同的染料顺序插入到沸石L（ZL）的1D通道中会导致超分子夹心结构，并允许形成用于光收集，传输和捕获的复杂天线复合材料。描述了染料分子，主体材料，复合物以及嵌入聚合物基体（包括两色和三色天线系统）中的复合物的合成和特性。ylene二酰亚胺（PDI）染料是一类重要的生色团，对人工天线系统的合成非常感兴趣。它们特别适合加深我们对ZL中结构与运输关系的理解，因为它们的核心紧密地穿过12环通道开口。在不影响它们的电子吸收和荧光光谱的情况下，PDIs两端的取代基可以在很大范围内变化。比较了17种PDI，2种三甲苯和1种四甲苯插入ZL中的插入/插入，并讨论了它们与ZL纳米通道内表面的相互作用。已使用尺寸约为500 nm的ZL晶体，因为它们满足制备用于光收集，传输和捕获的天线复合材料所必须遵守的标准。通过将染料插入ZL通道，可以大大改善染料的光稳定性，因为客人受到了封闭的保护。堵塞通道入口，使客人无法
• C–H Borylation by Platinum Catalysis
  作者：Takayuki Furukawa、Mamoru Tobisu、Naoto Chatani

  DOI：10.1246/bcsj.20160391

  日期：2017.3.15

  platinum-catalyzed borylation of aromatic C–H bonds. N-Heterocyclic carbene-ligated platinum catalysts are found to be efficient catalysts for the borylation of aromatic C(sp2)–H bonds when bis(pinacolato)diboron is used as the boron source. The most remarkable feature of these Pt catalysts is their lack of sensitivity towards the degree of steric hindrance around the C–H bonds undergoing the borylation reaction

  在此，我们描述了铂催化的芳族 C-H 键硼化。当使用双（频哪醇）二硼作为硼源时，发现 N-杂环卡宾连接的铂催化剂是芳族 C(sp2)-H 键硼化的有效催化剂。这些 Pt 催化剂最显着的特点是它们对发生硼化反应的 C-H 键周围的空间位阻程度缺乏敏感性。这些 Pt 催化剂允许合成空间拥挤的 2,6-二取代苯基硼酸酯，否则使用现有的 C-H 硼酸化方法难以合成。此外，铂催化允许氟芳烃系统中氟取代基邻位的 C-H 键的位点选择性硼化。