2,4-二氯-1,3,5-三嗪 | 2831-66-5

• 物质功能分类: 医药中间体 - 原料药中间体
• 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: 2,4-二氯-1,3,5-三嗪
• 英文名称: 2,4-dichloro-1,3,5-triazine
• 英文别名: 2,4-dichlorotriazine；2,4-dichloro-s-triazine
• CAS: 2831-66-5
• 化学式: C₃HCl₂N₃
• mdl: MFCD04115347
• 分子量: 149.967
• InChiKey: OMRXVBREYFZQHU-UHFFFAOYSA-N

物化性质

• 熔点：
  54.0 to 58.0 °C
• 沸点：
  102°C/75mmHg(lit.)
• 密度：
  1.612±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)：
  1.9
• 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：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 安全说明：
  S26,S36/37/39
• 海关编码：
  2933699090
• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存放于惰性气体中，并远离湿气（以防分解）。

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 2,4-Dichloro-1,3,5-triazine
Synonyms:

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 2,4-Dichloro-1,3,5-triazine
CAS number: 2831-66-5

---

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: C3HCl2N3
Molecular weight: 150

---

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, hydrogen chloride.

---

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

制备方法与用途

用途

2,4-二氯-1,3,5-三嗪是制备溴己新杂质中的中间体。

应用

作为有机合成中间体和医药中间体，2,4-二氯-1,3,5-三嗪广泛应用于实验室研发过程和化工医药合成中。它不仅作为原料药的杂质使用，还可用作标准参照品。

反应信息

• 作为反应物：
  描述：

  2,4-二氯-1,3,5-三嗪 在 氨 作用下， 以 乙醚 为溶剂， 以35%的产率得到4-氨基-2-氯-1,3,5-三嗪
  参考文献：
  名称：

  Atrazine Metabolism by Nocardia: Elucidation of Initial Pathway and Synthesis of Potential Metabolites

  摘要：

  研究了一种土壤细菌 Nocardia 对莠去津除草剂的新陈代谢，这种细菌以前曾被证明能将除草剂降解为 4-氨基-2-氯-1,3,5-三嗪。新陈代谢的主要途径似乎是 N-脱烷基化，与在几种真菌中发现的途径相似。数据表明，分离出的脱烷基代谢物是 4-氨基-2-氯-1,3,5-三嗪的前体。虽然合成了假定的代谢物 4-烷基氨基-2-氯-1,3,5-三嗪，但并不能直接证明它们参与了降解过程。

  DOI：

  10.1080/00021369.1982.10865301
• 作为产物：
  描述：

  三聚氯氰 在 lithium aluminium tetrahydride 、 乙醚 作用下， 生成 2,4-二氯-1,3,5-三嗪
  参考文献：
  名称：

  Triazines. VII. The Reaction of Cyanuric Chloride with Lithium Aluminum Hydride¹

  摘要：

  DOI：

  10.1021/ja01636a065
• 作为试剂：
  描述：

  2,4-二氯-1,3,5-三嗪 、 3-{[N-(4-methoxybenzyl)-S-methylsulfonimidoyl]methyl}aniline 在 2,4-二氯-1,3,5-三嗪 作用下， 以97的产率得到4-chloro-N-(3-{[N-(4-methoxybenzyl)-S-methylsulfonimidoyl]methyl}phenyl)-1,3,5-triazin-2-amine
  参考文献：
  名称：

  Synthesis 2017, 49, 1024-1036

  摘要：

  DOI：

文献信息

• [EN] AZADECALIN DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION<br/>[FR] DÉRIVÉS D'AZADÉCALINE EN TANT QU'INHIBITEURS DE LA RÉPLICATION DU VIRUS DE L'IMMUNODÉFICIENCE HUMAINE
  申请人：VIIV HEALTHCARE UK (NO 5) LTD

  公开号：WO2018002848A1

  公开（公告）日：2018-01-04

  Compounds having drug and bio-affecting properties, their pharmaceutical compositions and methods of use are set forth. In particular, azadecaline derivatives that possess unique antiviral activity are provided as HIV maturation inhibitors, as represented by compounds of Formula (I). These compounds are useful for the treatment of HIV and AIDS.

  具有药物和生物影响特性的化合物，其药物组合物和使用方法已列出。具体来说，提供了具有独特抗病毒活性的阿扎德卡林衍生物，作为HIV成熟抑制剂，如化合物(I)的公式所代表的那样。这些化合物对于治疗HIV和艾滋病是有用的。
• Kinase inhibitors
  申请人：Amgen Inc.

  公开号：US20040116388A1

  公开（公告）日：2004-06-17

  The invention relates to inhibitors of enzymes that bind to ATP or GTP and/or catalyze phosphoryl transfer, compositions comprising the inhibitors, and methods of using the inhibitors and inhibitor compositions. The inhibitors and compositions comprising them are useful for treating disease or disease symptoms. The invention also provides for methods of making phosphoryl transferase inhibitor compounds, methods of inhibiting phosphoryl transferase activity, and methods for treating disease or disease symptoms.

  这项发明涉及与ATP或GTP结合并/或催化磷酸转移的酶的抑制剂，包括这些抑制剂的组合物，以及使用这些抑制剂和抑制剂组合物的方法。这些抑制剂和包含它们的组合物对治疗疾病或疾病症状是有用的。该发明还提供了制备磷酸转移酶抑制剂化合物的方法，抑制磷酸转移酶活性的方法，以及治疗疾病或疾病症状的方法。
• TETRAZOLINONE COMPOUND AND USE OF SAME
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20160081339A1

  公开（公告）日：2016-03-24

  A tetrazolinone compound of formula (1): wherein R 1 and R 2 each independently represents a hydrogen atom, etc.; R 3 represents a C1-C6 alkyl group, etc.; R 4 , R 5 , and R 6 each independently represents a hydrogen atom, etc.; A represents a C6-C16 aryl group optionally having one or more atoms or groups selected from Group P, etc.; Q represents the following group Q1, etc.; and X represents an oxygen atom or a sulfur atom, has excellent control activity against pests.

  一种化学式（1）所示的四唑酮化合物： 其中R1和R2分别独立表示氢原子，等等； R3表示C1-C6烷基，等等；R4、R5和R6分别独立表示氢原子，等等；A表示一个C6-C16芳基，可选地具有来自P族等组的一个或多个原子或基团；Q表示以下Q1组等；以及 X表示氧原子或硫原子，对害虫具有出色的控制活性。
• IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS
  申请人：Venkataramani Chandrasekar

  公开号：US20100009990A1

  公开（公告）日：2010-01-14

  A compound of general Formula (I) having histone deacetylase (HDAC) and/or Cyclin-dependent kinase (CDK) inhibitory activity, a pharmaceutical composition comprising the compound, and a method useful to treat diseases using the compound.

  具有组蛋白去乙酰化酶（HDAC）和/或 Cyclin 依赖性激酶（CDK）抑制活性的一般式（I）化合物，包括该化合物的药物组合物，以及使用该化合物治疗疾病的有效方法。
• SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES
  申请人：NOLTE Bert

  公开号：US20090247530A1

  公开（公告）日：2009-10-01

  The invention relates to compounds that have an affinity to the μ-opioid receptor and the ORL 1-receptor, methods for their production, medications containing these compounds and the use of these compounds for the treatment of pain and other conditions.

  这项发明涉及具有与μ-阿片受体和ORL 1-受体亲和力的化合物，其生产方法，含有这些化合物的药物以及利用这些化合物治疗疼痛和其他疾病的用途。