3-甲基-1H-1,2,4-噻唑 | 7170-01-6

• 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 - 唑类
• 中文名称: 3-甲基-1H-1,2,4-噻唑
• 中文别名: 3-甲基-1,2,4-三唑；2-甲基-1,3,4-三氮唑；3-甲基-1,2,4-三氮唑；5-甲基-1H-1,2,4-三唑；3-甲基-1H-1,2,4-三氮唑；3-甲基-1,3,4-三氮唑；3(5)-甲基-1,2,4-三氮唑；3-甲基1,2,4三氮唑；3-甲基-1H-1,2,4
• 英文名称: 3-methyl-1H-[1,2,4]triazole
• 英文别名: 3-Methyl-1,2,4-triazol；3-methyl-1,2,4-triazole；3-Methyl-1,2,4-triazolyl；5-methyl-1H-1,2,4-triazole
• CAS: 7170-01-6
• 化学式: C₃H₅N₃
• mdl: MFCD00233931
• 分子量: 83.0928
• InChiKey: PZKFSRWSQOQYNR-UHFFFAOYSA-N

物化性质

• 熔点：
  44-48°C
• 沸点：
  138 °C(Press: 8 Torr)
• 密度：
  1.178±0.06 g/cm3(Predicted)
• 溶解度：
  溶于甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  6
• 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：
  41.6
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2933990090
• WGK Germany：
  3
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  室温且干燥环境下使用。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Methyl-1h-1,2,4-triazole
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: 3-Methyl-1h-1,2,4-triazole
CAS number: 7170-01-6

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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: C3H5N3
Molecular weight: 83.1

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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

制备方法与用途

化学性质
有数种互变异构体：1H型、2H型和4H型，结晶（苯），熔点为98℃。

用途
用作三氮唑核苷、唑嘧胺和曲匹地尔的中间体。

生产方法
可以以硝基胍为原料合成。

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  3-巯基-5-甲基-1,2,4-三氮唑	3-mercapto-5-methyl-1,2,4-triazole	7271-44-5	C3H5N3S	115.159

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  3-氰基-1,2,4-三氮唑	1H-1,2,4-triazole-3-carbonitrile	3641-10-9	C3H2N4	94.0757
  1,2,4-1H-三氮唑,3-溴-5-甲基-	3-bromo-5-methyl-1H-1,2,4-triazole	26557-90-4	C3H4BrN3	161.989

反应信息

• 作为反应物：
  描述：

  3-甲基-1H-1,2,4-噻唑 以7%的产率得到
  参考文献：
  名称：

  PEVZNER M. S.; KULIBABINA T. N.; IOFFE S. L.; MASLINA I. A.; GIDASPOV B. +, XIMIYA GETEROTSIKL. SOEDIN., 1979, HO 4, 550-554

  摘要：

  DOI：
• 作为产物：
  描述：

  5-甲基-1,2,4-噻唑-3,4-二胺 在 亚膦酸 、 sodium nitrite 作用下， 生成 3-甲基-1H-1,2,4-噻唑
  参考文献：
  名称：

  ACETYLATION AND RING CLOSURE IN REDUCTION OF NITRO- AND NITROAMINO-GUANIDINE¹

  摘要：

  DOI：

  10.1021/jo01130a014

文献信息

• [EN] N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USES THEREOF<br/>[FR] N-CYCLOPROPYL-N-PIPÉRIDINYL-AMIDES, COMPOSITIONS PHARMACEUTIQUES LES CONTENANT ET LEURS UTILISATIONS
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2014019967A1

  公开（公告）日：2014-02-06

  The present invention relates to compounds of general formula (I), wherein R1, LP, HetAr1, (Het)Ar2 and n are as defined in the application, which have valuable pharmacological properties, and in particular bind to the GPR119 receptor and modulate its activity.

  本发明涉及一般式（I）的化合物，其中R1、LP、HetAr1、（Het）Ar2和n如申请中所定义，具有有价值的药理特性，特别是结合GPR119受体并调节其活性。
• NOVEL COMPOUNDS
  申请人：ALVARO Giuseppe

  公开号：US20100144760A1

  公开（公告）日：2010-06-10

  Disclosed are N-[(1R,4S,6R)-3-(2-pyridinylcarbonyl)-3-azabicyclo[4.1.0]hept-4-yl]methyl}-2-heteroarylamine derivatives and their use as pharmaceuticals.

  揭示了N-[(1R,4S,6R)-3-(2-吡啶基甲酰基)-3-氮杂双环[4.1.0]庚-4-基]甲基}-2-杂环芳胺衍生物及其作为药物的用途。
• [EN] AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE<br/>[FR] INHIBITEURS DE L'AUTOTAXINE CONTENANT UN NOYAU À CYCLE BENZYLE-AMIDE CYCLIQUE HÉTÉROAROMATIQUE
  申请人：NOVARTIS AG

  公开号：WO2015008230A1

  公开（公告）日：2015-01-22

  The present invention relates to novel compounds that are autotaxin inhibitors, processes for their preparation, pharmaceutical compositions and medicaments containing them and to their use in diseases and disorders mediated by autotaxin.

  本发明涉及新型化合物，这些化合物是自体磷脂酶抑制剂，涉及它们的制备方法，含有它们的药物组合物和药物，以及它们在由自体磷脂酶介导的疾病和紊乱中的应用。
• FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF
  申请人：FORUM Pharmaceuticals Inc.

  公开号：US20170044182A1

  公开（公告）日：2017-02-16

  The present disclosure relates to Fused Morpholinopyrimidines, pharmaceutical compositions comprising an effective amount of a Fused Morpholinopyrimidine and methods for using a Fused Morpholinopyrimidine in the treatment of a neurodegenerative disease, comprising administering to a subject in need thereof an effective amount of a Fused Morpholinopyrimidine.

  本公开涉及融合吗啉吡嘧啶类化合物，包括有效量的融合吗啉吡嘧啶类化合物的药物组合物，以及在治疗神经退行性疾病中使用融合吗啉吡嘧啶类化合物的方法，包括向需要的受试者施用有效量的融合吗啉吡嘧啶类化合物。
• [EN] COMBINATION THERAPY USING A BETA 3 ADRENERGIC RECEPTOR AGONIST AND AN ANTIMUSCARINIC AGENT<br/>[FR] POLYTHÉRAPIE UTILISANT UN AGONISTE DES RÉCEPTEURS ADRÉNERGIQUES BÊTA-3 ET UN AGENT ANTIMUSCARINIQUE
  申请人：MERCK SHARP & DOHME

  公开号：WO2011043942A1

  公开（公告）日：2011-04-14

  Described herein is an improved method of treating overactive bladder, wherein the method comprises administering to a patient in need thereof a beta 3 adrenergic receptor agonist, an antimuscarinic agent, and an optional selective M2 antagonist. Such combination therapy provides improved efficacy and/or reduced side effects.

  本文描述了一种改进的治疗过度活跃膀胱的方法，其中该方法包括向需要的患者施用β3肾上腺能受体激动剂、抗胆碱药物和可选的选择性M2拮抗剂。这种联合疗法提供了改善的疗效和/或减少的副作用。

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