2,4-二氨基-1,3,5-三嗪 | 504-08-5

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 中文名称: 2,4-二氨基-1,3,5-三嗪
• 中文别名: 2,6-二氨基-S-三嗪；(4-氨基-S-三嗪-2-基)胺；4,6-二氨基-S-三嗪；S-三嗪,2,4-二氨基-；1,3,5-三嗪-2,4-二胺；2,4-二氨基-S-三嗪；二氨基-S-三嗪；1,3,5-三嗪-2,6-二胺
• 英文名称: 2,4-diamino-1,3,5-triazine
• 英文别名: 1,3,5-triazine-2,4-diamine
• CAS: 504-08-5
• 化学式: C₃H₅N₅
• mdl: MFCD00014598
• 分子量: 111.106
• InChiKey: VZXTWGWHSMCWGA-UHFFFAOYSA-N

物化性质

• 熔点：
  >300°C
• 沸点：
  447.6±28.0 °C(Predicted)
• 密度：
  1.508±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  90.7
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 危险类别码：
  R36/37/38
• 海关编码：
  2933699090
• 安全说明：
  S26,S36/37/39
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温

SDS

2,4-Diamino-1,3,5-triazine Revision number: 5
SAFETY DATA SHEET

---

Section 1. IDENTIFICATION
Product name: 2,4-Diamino-1,3,5-triazine

Revision number: 5

---

Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS
Skin corrosion/irritation Category 2
Category 2A
Serious eye damage/eye irritation
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal word Warning
Hazard statements Causes skin irritation
Causes serious eye irritation
Precautionary statements:
Wash hands thoroughly after handling.
[Prevention]
Wear protective gloves/eye protection/face protection.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
[Response]
if present and easy to do. Continue rinsing.
If eye irritation persists: Get medical advice/attention.
IF ON SKIN: Gently wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
Take off contaminated clothing and wash before reuse.

---

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: 2,4-Diamino-1,3,5-triazine
Percent: >98.0%(T)
CAS Number: 504-08-5
Chemical Formula: C3H5N5

---

Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Get medical advice/attention if you feel unwell.
2,4-Diamino-1,3,5-triazine

---

Section 4. FIRST AID MEASURES
Skin contact: Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion: Get medical advice/attention if you feel unwell. Rinse mouth.
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.

---

Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
media:
Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
from the chemical: generate poisonous fume.
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

---

Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, Use personal protective equipment. Keep people away from and upwind of spill/leak.
protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
emergency procedures: roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

---

Section 7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a local exhaust if dust or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store away from incompatible materials such as oxidizing agents.
Packaging material: Comply with laws.

---

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust as possible so that workers should not be
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Dust respirator. Follow local and national regulations.
Hand protection: Protective gloves.
Safety glasses. A face-shield, if the situation requires.
Eye protection:
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

---

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Solid
Crystal- Powder
Form:
Colour: White - Very pale yellow
No data available
Odour:
2,4-Diamino-1,3,5-triazine

---

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
pH: No data available
Melting point/freezing point:325°C
Boiling point/range: No data available
Flash point: No data available
Flammability or explosive
limits:
Lower: No data available
Upper: No data available
Relative density: No data available
Solubility(ies):
[Water] No data available
[Other solvents] No data available
Log Pow: -1.25

---

Section 10. STABILITY AND REACTIVITY
Chemical stability: Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
products:

---

Section 11. TOXICOLOGICAL INFORMATION
Acute Toxicity: No data available
Skin corrosion/irritation: No data available
Serious eye No data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC = No data available
NTP = No data available
Reproductive toxicity: No data available

---

Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
Crustacea: No data available
No data available
Algae:
Persistence / degradability: No data available
No data available
Bioaccumulative
potential(BCF):
Mobility in soil
Log Pow: -1.25
Soil adsorption (Koc): No data available
Henry's Law No data available
constant(PaM3/mol):

---

Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
with a 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.

---

Section 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
UN-No: Not listed
2,4-Diamino-1,3,5-triazine

---

Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

概述

2,4-二氨基-1,3,5-三嗪可用作医药合成中间体。如果吸入该物质，请将患者移至新鲜空气处；若皮肤接触，则应脱去污染的衣物，并用肥皂水和清水彻底冲洗皮肤，如有不适，请及时就医。

应用

2,4-二氨基-1,3,5-三嗪可用作医药合成中间体。

反应信息

• 作为反应物：
  描述：

  2,4-二氨基-1,3,5-三嗪 在 三氯氧磷 作用下， 生成 N,N'-[1,3,5]triazine-2,4-diyl-bis-amidophosphoric acid
  参考文献：
  名称：

  CH243738

  摘要：

  公开号：
• 作为产物：
  描述：

  2-氯-4,6-二氨基-1,3,5-三嗪 在 palladium on activated charcoal 、 1,2-丙二醇 作用下， 生成 2,4-二氨基-1,3,5-三嗪
  参考文献：
  名称：

  Foye; Weinswig, Journal of the American Pharmaceutical Association (1912), 1959, vol. 48, p. 327

  摘要：

  DOI：

文献信息

• General and Mild Cobalt-Catalyzed C-Alkylation of Unactivated Amides and Esters with Alcohols
  作者：Nicklas Deibl、Rhett Kempe

  DOI：10.1021/jacs.6b06448

  日期：2016.8.31

  The borrowing hydrogen or hydrogen autotransfer methodology is an elegant and sustainable or green concept to construct carbon-carbon bonds. In this concept, alcohols, which can be obtained from barely used and indigestible biomass, such as lignocellulose, are employed as alkylating reagents. An especially challenging alkylation is that of unactivated esters and amides. Only noble metal catalysts based

  借用氢或氢自动转移方法是构建碳-碳键的优雅且可持续或绿色的概念。在这个概念中，可以从几乎不使用且难以消化的生物质（例如木质纤维素）中获得的醇被用作烷基化试剂。一个特别具有挑战性的烷基化是未活化的酯和酰胺。仅使用基于铱和钌的贵金属催化剂来完成这些反应。在此，我们报告了醇对未活化酰胺和酯的第一个贱金属催化的 α-烷基化反应。我们实验室最近开发的钳形配体稳定的钴配合物可以非常有效地催化这些反应。预催化剂可以很容易地从市售的起始材料以多克规模合成，并且在碱性反应条件下自活化。这种 Co 催化剂类别还能够介导酯和酰胺的烷基化反应。此外，我们应用该方法合成酮并将醇转化为由两个碳原子拉长的醛。
• 二胺化合物及制备方法、聚酰胺酸及制备方法、聚酰亚胺、取向剂及取向膜、显示装置
  申请人：阜阳欣奕华材料科技有限公司

  公开号：CN109535073A

  公开（公告）日：2019-03-29

  本发明公开了一种二胺化合物及制备方法、聚酰胺酸及制备方法、聚酰亚胺、取向剂及取向膜、显示装置，涉及液晶显示领域，该二胺化合物电压保持率高、离子密度低、积聚电荷少、蓄积电荷释放速度快，结构通式如式I‑1或式I‑2所示：R1、R2、R3、R4分别独立选自‑H、‑CH3、‑CH2 、‑CH2CH2 中的任一种；m＝0‑2，n＝0‑2；R5选自‑O‑或‑NH‑；式I‑1中的R6选自式II‑1～式II‑13中的至少一种，式I‑2中的R6选自式II‑14～式II‑20中的至少一种，A代表O或S原子，B代表N或C原子；
• Engineering homologous molecular organization in 2D and 3D. Cocrystallization of aminoazines and alkanecarboxylic acids
  作者：Adam Duong、Thierry Maris、James D. Wuest

  DOI：10.1039/c1ce05445g

  日期：——

  Amino-substituted azines such as aminotriazines have simple planar structures with an affinity for adsorption on graphite. In addition, aminoazines associate predictably with carboxylic acids according to a reliable hydrogen-bonded motif. Together, these properties help predispose aminoazines and alkanecarboxylic acids to cocrystallize and to coadsorb on graphite to give related 3D and 2D structures built from essentially planar tapes. These results illustrate how molecular materials that reliably adopt similar ordered structures in both adlayers and bulk samples can be devised by choosing components that combine an affinity for surfaces with a tendency to form sheets held together by strong coplanar intermolecular interactions.

  氨基取代的吖嗪类化合物，如氨基三嗪，具有简单的平面结构，并且对石墨有吸附亲和力。此外，氨基吖嗪依据可靠的氢键模式可预测地与羧酸结合。这些特性共同促使氨基吖嗪和烷基羧酸倾向于共结晶并共吸附于石墨上，形成由基本平面带构成的相关三维和二维结构。这些结果展示了如何通过选择兼具表面亲和力和形成由强共平面分子间相互作用维系的片层倾向的成分，来设计在吸附层和体相样品中均能稳定采用相似有序结构的分子材料。
• [EN] SUBSTITUTED DIHYDROIMIDAZOPYRIDINEDIONES AS MKNK1 AND MKNK2 INHIBITORS<br/>[FR] DIHYDROIMIDAZOPYRIDINEDIONES SUBSTITUÉES UTILISÉES EN TANT QU'INHIBITEURS DE MKNK1 ET DE MKNK2
  申请人：BAYER PHARMA AG

  公开号：WO2018134148A1

  公开（公告）日：2018-07-26

  The present invention relates to substituted dihydroimidazopyridinedione compounds of general formula (A) as described and defined herein, to methods of preparing said compounds, to intermediate compounds useful for preparing said compounds, to pharmaceutical compositions and combinations comprising said compounds and to the use of said compounds for manufacturing a pharmaceutical composition for the treatment or prophylaxis of a disease, in particular of a hyperproliferative, angiogenesis disorders, inflammatory diseases or diseases associated with inflammatory pain, as a sole agent or in combination with other active ingredients.

  本发明涉及通式（A）所描述和定义的取代二氢咪唑吡啶二酮化合物，以及制备该化合物的方法，用于制备该化合物的有用中间体化合物，包含该化合物的药物组合物和复合物，以及利用该化合物制造用于治疗或预防疾病的药物组合物，特别是治疗过度增殖、血管生成障碍、炎症性疾病或与炎症性疼痛相关的疾病的药物组合物，作为单一药剂或与其他活性成分结合使用。
• Metal free [4+1] and [5+1] annulation reactions to prepare heterocycles using DMF and its derivatives as one-carbon source
  作者：Yiwen Xu、Bei Shen、Lingfeng Liu、Chunhua Qiao

  DOI：10.1016/j.tetlet.2020.151844

  日期：2020.5

  in a variety of pharmaceutical and agrochemical agents. Herein, we report a highly efficient and practical method using DMF and its derivative for the [4+1] and [5+1] annulation reactions to prepare these heterocycles. This metal free reaction takes advantages of shelf stable DMF as solvent and carbon donor, imidazole chloride as catalyst, the mild reaction condition tolerates a broad substrate range

  1,2,4-三唑并[3,4- a ]吡啶和相关的杂环以及取代的三嗪是在各种药物和农用化学试剂中普遍发现的支架。在这里，我们报告了一种高效且实用的方法，该方法使用DMF及其衍生物进行[4 + 1]和[5 + 1]环化反应，以制备这些杂环。这种无金属的反应利用了贮存稳定的DMF作为溶剂和碳供体，使用咪唑氯化物作为催化剂的优势，温和的反应条件可耐受广泛的底物范围并替代。制备的3-未取代的1,2,4-三唑并[3,4- a ]吡啶和衍生物允许在3-位进一步引入各种官能团。

表征谱图