2,4-二氯-6-甲基嘧啶-5-甲腈 | 56035-64-4

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2,4-二氯-6-甲基嘧啶-5-甲腈
• 中文别名: 2,4-二氯-6-甲基-5-嘧啶甲腈
• 英文名称: 2,4-dichloro-6-methyl-pyrimidine-5-carbonitrile
• 英文别名: 5-cyano-2,4-dichloro-6-methyl-pyrimidine；2,4-Dichlor-5-cyan-6-methyl-pyrimidin；2,4-Dichloro-6-methylpyrimidine-5-carbonitrile
• CAS: 56035-64-4
• 化学式: C₆H₃Cl₂N₃
• 分子量: 188.016
• InChiKey: YQBPLKJZELWYDH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  49.6
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933599090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温和干燥环境下使用。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2,4-Dichloro-6-methylpyrimidine-5-carbonitrile
Synonyms:

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

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Section 3. Composition/information on ingredients.
Ingredient name: 2,4-Dichloro-6-methylpyrimidine-5-carbonitrile
CAS number: 56035-64-4

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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.

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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.

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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.

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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.
Storage:

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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.

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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: C6H3Cl2N3
Molecular weight: 188.0

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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.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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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.

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

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

2,4-二氯-6-甲基-5-嘧啶甲腈可用作有机合成中间体和医药中间体，主要应用于实验室研发及化工生产过程中。

反应信息

• 作为反应物：
  描述：

  4-氨基茚满 、 2,4-二氯-6-甲基嘧啶-5-甲腈 生成 N6-(2,3-dihydro-1H-inden-4-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
  参考文献：
  名称：

  NOVEL HETEROCYCLE DERIVATIVE

  摘要：

  本发明涉及一种新的杂环衍生物、其盐或异构体。更具体地，本发明涉及一种对于脱发疗法有效的新的杂环衍生物，例如雄激素性脱发和斑秃，并具有出色的预防脱发效果，其盐或异构体，以及包含其作为预防脱发有效成分的组合物。

  公开号：

  US20220259199A1

文献信息

• 2,4,5,6-Tetrasubstituted pyrimidines and salts thereof
  申请人：Boehringer Ingelheim GmbH

  公开号：US03975384A1

  公开（公告）日：1976-08-17

  Compounds of the formula ##SPC1## Wherein R.sub.1 is alkoxy of 1 to 3 carbon atoms, morpholino, thiomorpholino, 1-oxido-thiomorpholino, 1,1-dioxido-thiomorpholino, or ##EQU1## where A is hydrogen, alkanoyl of 1 to 4 carbon atoms, alkenoyl of 2 to 4 carbon atoms, methoxy-(alkanoyl of 1 to 4 carbon atoms), carboxyl-(alkanoyl of 1 to 4 carbon atoms), acetyl-(alkanoyl of 1 to 4 carbon atoms), methoxy-(alkenoyl of 2 to 4 carbon atoms), carboxyl-(alkenoyl of 2 to 4 carbon atoms), acetyl-(alkenoyl of 2 to 4 carbon atoms), aminocarbonyl, mono(alkyl of 1 to 4 carbon atoms)-aminocarbonyl, di-(alkyl of 1 to 4 carbon atoms)-aminocarbonyl, methoxymethylaminocarbonyl, pyridinoyl, salicyloyl, furanoyl, or (alkyl of 1 to 3 carbon atoms)-sulfonyl, R.sub.2 is morpholino, thiomorpholino, 1-oxido-thiomorpholino, 1,1-dioxido-thiomorpholino, piperazino or N'-[acetyl-(alkanoyl of 1 to 3 arbon atoms)]-piperazino, R.sub.3 is hydrogen, chlorine, bromine, nitro, cyano, formyl, acetyl or carbalkoxy of 2 to 4 carbon atoms, and R.sub.4 is hydrogen, chlorine, bromine, cyano, carbalkoxy of 2 to 4 carbon atoms, alkyl of 1 to 6 carbon atoms, mono(carbalkoxy of 2 to 4 carbon atoms)-alkyl of 1 to 6 carbon atoms, di(carbalkoxy of 2 to 4 carbon atoms)-alkyl of 1 to 6 carbon atoms, hydroxyl, allyloxy, alkoxy of 1 to 6 carbon atoms, mercapto, allylmercapto, (alkyl of 1 to 6 carbon atoms)-mercapto, 1-oxidothiomorpholino, or --NHB where B is hydrogen, alkyl of 1 to 3 carbon atoms, cyclohexyl, phenyl, chloro-phenyl, carboxy-phenyl, carbomethoxy-phenyl or pyridyl, And non-toxic, pharmacologically acceptable acid addition salts thereof; the compounds as well as the salts are useful as antithrombotics.

  化合物的公式为##SPC1##其中R.sub.1是1到3个碳原子的烷氧基，吗啡基，硫环氧基，1-氧代硫环氧基，1,1-二氧代硫环氧基或##EQU1##其中A是氢，1到4个碳原子的烷酰基，2到4个碳原子的烯酰基，甲氧基-(1到4个碳原子的烷酰基)，羧基-(1到4个碳原子的烷酰基)，乙酰基-(1到4个碳原子的烷酰基)，甲氧基-(2到4个碳原子的烯酰基)，羧基-(2到4个碳原子的烯酰基)，乙酰基-(2到4个碳原子的烯酰基)，氨基甲酰基，单(1到4个碳原子的烷基)-氨基甲酰基，双(1到4个碳原子的烷基)-氨基甲酰基，甲氧基甲基氨基甲酰基，吡啶酰基，水杨酰基，呋喃酰基或(1到3个碳原子的烷基)-磺酰基，R.sub.2是吗啡基，硫环氧基，1-氧代硫环氧基，1,1-二氧代硫环氧基，哌嗪基或N'-[乙酰-(1到3个碳原子的烷酰基)]-哌嗪基，R.sub.3是氢，氯，溴，硝基，氰基，甲酰基，乙酰基或2到4个碳原子的羧基烷氧基，R.sub.4是氢，氯，溴，氰基，2到4个碳原子的羧基烷氧基，1到6个碳原子的烷基，单(2到4个碳原子的羧基烷氧基)-1到6个碳原子的烷基，双(2到4个碳原子的羧基烷氧基)-1到6个碳原子的烷基，羟基，丙烯氧基，1到6个碳原子的烷氧基，硫醇基，丙烯硫醇基，(1到6个碳原子的烷基)-硫醇基，1-氧代硫环氧基或--NHB，其中B是氢，1到3个碳原子的烷基，环己基，苯基，氯苯基，羧基苯基，甲氧基苯基或吡啶基，以及其无毒、药理学上可接受的酸盐；这些化合物和盐作为抗血栓剂具有用处。
• Reactive Dyestuff, Method For Production Thereof and Use of the Same
  申请人：Meier Stefan

  公开号：US20080189880A1

  公开（公告）日：2008-08-14

  The present invention relates to dyes of the general formula (1) where M and X are each as defined in claim 1 , dye mixtures comprising one or more of the dyes of the general formula (1) and also one or more further fiber-reactive dyes, processes for their preparation, their use and printing inks comprising same.

  本发明涉及一般式（1）中M和X的定义如权利要求书1所述的染料，包括一种或多种一般式（1）的染料和一种或多种其他纤维反应性染料的混合物，它们的制备过程，它们的使用和包含它们的印刷油墨。
• 螺杂环取代的嘧啶类化合物及其制备方法和用途
  申请人：[en]SHANGHAI MEIYUE BIOTECH DEVELOPMENT CO., LTD.;[zh]上海美悦生物科技发展有限公司

  公开号：WO2024114561A1

  公开（公告）日：2024-06-06

  本公开涉及一种螺杂环取代的嘧啶类化合物及其制备方法和用途，具体提供了一类式(I)所示的螺杂环取代的嘧啶类化合物或其药学上可接受的盐，其可用于制备药物，特别是制备预防和/或治疗CCR4因子介导的疾病或病症的药物。式(I)中各基团如说明书中所定义。
• US3975384A
  申请人：——

  公开号：US3975384A

  公开（公告）日：1976-08-17
• US7632316B2
  申请人：——

  公开号：US7632316B2

  公开（公告）日：2009-12-15