3,4,5-三甲基苯胺 | 1639-31-2

• 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: 3,4,5-三甲基苯胺
• 英文名称: 3,4,5-trimethylaniline
• 英文别名: 3,4,5-Trimethyl-anilin；3,4,5-trimethylbenzeneamine；5-Amino-1.2.3-trimethyl-benzol
• CAS: 1639-31-2
• 化学式: C₉H₁₃N
• mdl: MFCD00130022
• 分子量: 135.209
• InChiKey: BXCUMAUHMPSRPZ-UHFFFAOYSA-N

物化性质

• 熔点：
  79-80℃
• 沸点：
  133-135℃ (16 Torr)
• 密度：
  0.962±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 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
• 海关编码：
  2921430090
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P260,P264,P280,P301+P330+P331,P303+P361+P353,P304+P340,P305+P351+P338,P310,P321,P363,P405,P501
• 危险品运输编号：
  3259
• 危险性描述：
  H314
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 3,4,5-Trimethylaniline
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: 3,4,5-Trimethylaniline
CAS number: 1639-31-2

---

Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

---

Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

---

Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

---

Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels, refrigerated.
Storage:

---

Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

---

Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C9H13N
Molecular weight: 135.2

---

Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3,4,5-三甲基苯胺 生成 3,4,5-三甲基苯酚
  参考文献：
  名称：

  Buu-Hoi,N.P. et al., Bulletin de la Societe Chimique de France, 1965, p. 322 - 326

  摘要：

  DOI：
• 作为产物：
  描述：

  1,2,3-三甲基-5-硝基-苯 在 sodium dithionite 作用下， 生成 3,4,5-三甲基苯胺
  参考文献：
  名称：

  Dollinsky et al., Journal of the Association of Official Agricultural Chemists, 1959, vol. 42, p. 709,716

  摘要：

  DOI：

文献信息

• ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES
  申请人：Universal Display Corporation

  公开号：US20160218303A1

  公开（公告）日：2016-07-28

  A family of phosphorescent emitter compounds containing a carbene ligand L A selected from the group consisting of: is disclosed. These compounds enhance the performance of OLEDs when incorporated therein.

  揭示了一类含有从以下组中选择的卡宾配体L的磷光发射物化合物家族。这些化合物在其中加入后提高了OLED的性能。
• Manganese Catalyzed Direct Amidation of Esters with Amines
  作者：Zhengqiang Fu、Xinghua Wang、Sheng Tao、Qingqing Bu、Donghui Wei、Ning Liu

  DOI：10.1021/acs.joc.0c02478

  日期：2021.2.5

  metal catalyzed amidations remains a challenge. Here, a manganese(I)-catalyzed method for the direct synthesis of amides from a various number of esters and amines is reported with unprecedented substrate scope using a low catalyst loading. A wide range of aromatic, aliphatic, and heterocyclic esters, even in fatty acid esters, reacted with a diverse range of primary aryl amines, primary alkyl amines

  酯与胺的过渡金属催化的酰胺键形成反应已被开发为克服传统方法的缺点的先进方法。在过渡金属催化的酰胺化反应中底物的广泛应用仍然是一个挑战。在此，报道了锰（I）催化的方法，其由多种酯和胺直接合成酰胺，具有低催化剂载量，具有无与伦比的底物范围。甚至在脂肪酸酯中，各种各样的芳族，脂族和杂环酯也与各种各样的伯芳基胺，伯烷基胺和仲烷基胺反应形成酰胺。值得注意的是，该方法提供了由脂肪酸酯和胺形成过渡金属催化的酰胺键形成反应的第一个例子。
• Oxidation of aromatic amines with chromyl chloride-I
  作者：C. Nallaiah、J.A. Strickson

  DOI：10.1016/s0040-4020(01)87565-7

  日期：1986.1

  The oxidation of aromatic primary amines with chromyl chloride in carbon tetrachloride or chloroform, results in the formation of intermediate solid adducts (Etard adducts) which, on hydrolysis, give azobenzenes(1), 1,4-benzoquinones(2),anilino-1,4-benzoquinones(3), 1,4-benzoquinone anils(4)and anilino-1,4-benzoquinone anils (5) in yields which depend on the position, nature and degree of substitution

  芳香族伯胺在四氯化碳或氯仿中用苯甲酰氯氧化，导致形成中间体固体加合物（Etard加合物），水解后得到偶氮苯（1），1,4-苯醌（2），苯胺基-1取决于环的位置，性质和取代度的产率的是，4-4-苯醌（3），1，4-苯醌（4）和苯胺-1,4-苯醌（5）。
• COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY
  申请人：Li Hui

  公开号：US20120028923A1

  公开（公告）日：2012-02-02

  Disclosed are compounds of formula I, compositions containing them, and methods of use for the compounds and compositions in the treatment of conditions in which modulation of the JAK pathway or inhibition of JAK kinases, particularly JAK 2 and JAK3, are therapeutically useful. Also disclosed are methods of making the compounds.

  披露了公式I的化合物，含有它们的组合物，以及使用这些化合物和组合物治疗调节JAK途径或抑制JAK激酶，特别是JAK2和JAK3，具有治疗用途的条件的方法。还披露了制造这些化合物的方法。
• 手性1,3-二芳基咪唑盐卡宾前体、其合成方法、金属盐复合物和应用
  申请人：中国科学院上海有机化学研究所

  公开号：CN109776422B

  公开（公告）日：2022-01-14

  本发明公开了一种手性1,3‑二芳基咪唑盐卡宾前体、其合成方法、金属盐复合物和应用。本发明的手性1,3‑二芳基咪唑盐卡宾前体，通过其与铜形成络合物，催化非活化端烯与联硼酸酯反应，高区域选择性、高对映选择性地得到手性马氏硼化物，成功解决了非活化端烯难以通过硼氢化反应直接形成手性马氏硼化物的问题，对于扩展手性烷基硼化物的种类具有重要意义，其中新型手性氮杂卡宾前体可以潜在应用于各种金属催化的不对称反应。