3-氨基-5-乙基-1,2,4-噻唑 | 22819-05-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 3-氨基-5-乙基-1,2,4-噻唑
• 中文别名: 3-乙基-1H-1,2,4-三唑-5-胺
• 英文名称: 3-amino-5-ethyl-1H-1,2,4-triazole
• 英文别名: 5-ethyl-1H-[1,2,4]triazol-3-ylamine；5-Aethyl-1H-[1,2,4]triazol-3-ylamin；5-ethyl-1H-1,2,4-triazol-3-amine；3-amino-5-ethyl-1,2,4-triazole；5(3)-Ethyl-3(5)amino-1,2,4-triazol；3-Amino-5-ethyl-1,2,4-triazol
• CAS: 22819-05-2
• 化学式: C₄H₈N₄
• mdl: MFCD01114776
• 分子量: 112.134
• InChiKey: ZVWFWIXWMIMWEU-UHFFFAOYSA-N

物化性质

• 沸点：
  332.8±25.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  8
• 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：
  67.6
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Ethyl-4h-[1,2,4]triazol-3-ylamine
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: 5-Ethyl-4h-[1,2,4]triazol-3-ylamine
CAS number: 22819-05-2

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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, refrigerated.
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: C4H8N4
Molecular weight: 112.1

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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.

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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

反应信息

• 作为反应物：
  描述：

  3-氨基-5-乙基-1,2,4-噻唑 、 1-(3-吡啶基)-3-(二甲氨基)-2-丙烯-1-酮 以 溶剂黄146 为溶剂， 反应 6.0h， 以to give 1.51 g of the desired product as colorless needles, mp 147°-149° C.的产率得到2-Ethyl-7-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidine
  参考文献：
  名称：

  7-Heteroaryl[1,2,4]triazolo[1,5-a]pyrimidines

  摘要：

  本文介绍了7-杂环芳基[1,2,4]三唑并[1,5-a]嘧啶，其可用作抗焦虑剂。

  公开号：

  US04444774A1
• 作为产物：
  描述：

  ethyl (1E)-N-cyanopropanimidoate 生成 3-氨基-5-乙基-1,2,4-噻唑
  参考文献：
  名称：

  WADE, JAMES J.

  摘要：

  DOI：

文献信息

• FUSED BICYCLIC PYRIMIDINES
  申请人：Holder Swen

  公开号：US20090137607A1

  公开（公告）日：2009-05-28

  Compounds of formula (I) a tautomer or stereoisomer thereof, or a salt thereof, wherein ring B and the pyrimidine to which it is fused, R4, R5, R6 and R7 have the meanings as given in the description and the claims, are effective inhibitors of the Pi3K/Akt pathway.

  式(I)的化合物及其互变异构体或立体异构体，或其盐，其中环B和与其融合的嘧啶，R4、R5、R6和R7的含义如描述和权利要求中所述，是Pi3K/Akt途径的有效抑制剂。
• [EN] HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES POUR L'INHIBITION DE PASK
  申请人：BIOENERGENIX

  公开号：WO2014066743A1

  公开（公告）日：2014-05-01

  Disclosed herein are new heterocyclic compounds and compositions and their application as pharmaceuticals for the treatment of disease. Methods of inhibiting PAS Kinase (PASK) activity in a human or animal subject are also provided for the treatment of diseases such as diabetes mellitus.

  本文披露了新的杂环化合物和组合物，以及它们作为药物治疗疾病的应用。还提供了抑制PAS激酶（PASK）在人类或动物主体中活性的方法，用于治疗疾病，如糖尿病。
• [EN] 1,2,4 -TRIAZOLE DERIVATIVES AS HERBICIDALS<br/>[FR] DÉRIVÉS DE 1,2,4-TRIAZOLE UTILISÉS EN TANT QU'HERBICIDES
  申请人：SYNGENTA LTD

  公开号：WO2013144234A1

  公开（公告）日：2013-10-03

  The present invention relates to compounds of Formula (I), or an agronomically acceptable salt of said compounds wherein R1, R2, X, R4, R5 and R7 are as defined herein. The invention further relates to herbicidal compositions which comprise a compound of Formula (I), and to their use for controlling weeds, in particular in crops of useful plants.

  本发明涉及式（I）化合物，或者该化合物的农业上可接受的盐，其中R1、R2、X、R4、R5和R7如本文所定义。本发明还涉及含有式（I）化合物的除草剂组合物，以及它们用于控制杂草的用途，特别是在有用植物的作物中。
• 1,2,4 - TRIAZOLE DERIVATIVES AS HERBICIDALS
  申请人：SYNGENTA LIMITED

  公开号：US20150065345A1

  公开（公告）日：2015-03-05

  The present invention relates to compounds of Formula (I), or an agronomically acceptable salt of said compounds wherein R 1 , R 2 , X, R 4 , R 5 and R 7 are as defined herein. The invention further relates to herbicidal compositions which comprise a compound of Formula (I), and to their use for controlling weeds, in particular in crops of useful plants.

  本发明涉及具有化学式（I）的化合物，或者该化合物的农业上可接受的盐，其中R1、R2、X、R4、R5和R7如本文所定义。该发明还涉及包含化合物（I）的除草剂组合物，以及它们用于控制杂草，特别是在有用植物作物中的用途。
• (Substituted-phenyl)-1,2,4-triazolo[4,3-a]-pyrimidines and
  申请人：American Cyanamid Company

  公开号：US04209621A1

  公开（公告）日：1980-06-24

  This disclosure describes substituted 1,2,4-triazolo[1,5-a]pyrimidines and substituted 1,2,4-triazolo[4,3-a]pyrimidines which possess anxiolytic activity.

  这份披露描述了具有抗焦虑活性的取代的1,2,4-三氮唑[1,5-a]嘧啶和取代的1,2,4-三氮唑[4,3-a]嘧啶。