16034-46-1

• 常用中文名：1-甲基-1H-吡唑-5-羧酸
• 常用英文名：1-Methylpyrazole-5-carboxylic Acid
• CAS号：16034-46-1
• 分子式：C₅H₆N₂O₂
• 分子量：126.11
• 发布时间：2018-02-26 08:00:00
• 更新时间：2024-01-02 16:43:05
• 1-甲基-5-吡唑羧酸是一种生物化学试剂,可作为生物材料或有机化合物用于生命科学相关研究。

名称

• 中文名: 1-甲基吡唑-5-甲酸
• 英文名: 1-Methylpyrazole-5-carboxylic Acid
• 中文别名: 1-甲基吡唑-5-羧酸; 1-甲基-吡唑-5-羧酸; 1-甲基-1H-吡唑-5-羧酸
• 英文别名: 2-methylpyrazole-3-carboxylic acid; 1-Methyl-pyrazole-5-carboxylicacid; N-Methylpyrazole-3-carboxylic acid; 1H-Pyrazole-5-carboxylic acid, 1-methyl-; N-methyl-pyrazole-3-carboxylic acid; MFCD00464253; 1-Methylpyrazole-5-carboxylic acid; 2H-Pyrazole-3-carboxylic acid, 2-methyl-; 1-Methyl-1H-pyrazole-5-carboxylic acid; 2-Methyl-2H-pyrazole-3-carboxylic acid; T5NNJ A1 EVQ

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 306.9±15.0 °C at 760 mmHg
• 熔点: 223.5-224.5
• 分子式: C₅H₆N₂O₂
• 分子量: 126.11
• 闪点: 139.4±20.4 °C
• 精确质量: 126.042931
• PSA: 55.12000
• LogP: -0.36
• 外观性状: 固体;White to Almost white powder to crystal
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.591
• 储存条件: 室温，干燥，密封
• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.1

  2.氢键供体数量:1

  3.氢键受体数量:3

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积55.1

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:126

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1.熔点（ºC）：220~225

生物活性

• 描述: 1-甲基-5-吡唑羧酸是一种生物化学试剂,可作为生物材料或有机化合物用于生命科学相关研究。
• 相关类别:
  研究领域 >> 其他
  信号通路 >> 其他 >> 其他

MSDS

1-Methylpyrazole-5-carboxylic Acid Revision number: 5.3 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:1-Methylpyrazole-5-carboxylic Acid Revision number:5.3 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDSNot classified HEALTH HAZARDS Skin corrosion/irritationCategory 2 Category 2A Serious eye damage/eye irritation ENVIRONMENTAL HAZARDSNot classified GHS label elements, including precautionary statements Pictograms or hazard symbols Signal wordWarning Hazard statementsCauses 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. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:1-Methylpyrazole-5-carboxylic Acid Percent:>97.0%(GC)(T) CAS Number:16034-46-1 Chemical Formula:C5H6N2O2 Section4. 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. 1-Methylpyrazole-5-carboxylic Acid Section4. 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. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry 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 protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. 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. Section7. 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. Section8. 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. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Solid Crystal- Powder Form: Colour:White - Almost white No data available Odour: 1-Methylpyrazole-5-carboxylic Acid Section9. PHYSICAL AND CHEMICAL PROPERTIES pH: No data available Melting point/freezing point:225°C (dec.) 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:-0.09 Section10. 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: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available NTP =No data available Reproductive toxicity:No data available Section12. 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:-0.09 Soil adsorption (Koc):No data available Henry's LawNo data available constant(PaM3/mol): Section13. 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. Section14. TRANSPORT INFORMATION Hazards Class:Does not correspond to the classification standard of the United Nations UN-No:Not listed 1-Methylpyrazole-5-carboxylic Acid Section15. 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

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H315-H319-H335
• 警示性声明: P261-P305 + P351 + P338
• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): 37/39-26
• 危险品运输编码: NONH for all modes of transport
• 海关编码: 2933199090

合成路线

930-36-9 124-38-9 ~44% 16034-46-1

文献：Galapagos NV Patent: WO2009/71706 A1, 2009 ; Location in patent: Page/Page column 48 ; WO 2009/071706 A1

1621-91-6 77-78-1 ~38% 16034-46-1 25016-20-0

文献：J. Gen. Chem. USSR (Engl. Transl.), , vol. 52, # 11 p. 2592 - 2598,2291 - 2296

930-36-9 201230-82-2 ~27% 16034-46-1

文献：Takeda Pharmaceutical Company Limited Patent: EP2530078 A1, 2012 ; Location in patent: Page/Page column 64 ;

694-31-5 ~77% 16034-46-1

文献：Manaev, Yu. A.; Andreeva, M. A.; Perevalov, V. P.; Stepanov, B. I.; Dubrovskaya, V. A.; Seraya, V. I. J. Gen. Chem. USSR (Engl. Transl.), 1982 , vol. 52, # 11 p. 2592 - 2598,2291 - 2296

930-36-9 ~% 16034-46-1

文献：Journal of the American Chemical Society, , vol. 80, p. 6271,6273 Justus Liebigs Annalen der Chemie, , vol. 625, p. 55,60

27258-33-9 ~99% 16034-46-1

文献：Lyalin; Petrosyan Russian Chemical Bulletin, 2012 , vol. 61, # 6 p. 1148 - 1153 Izv. Akad. Nauk, Ser. Khim., 2012 , vol. 61, # 6 p. 1139 - 1143,5

930-36-9 109-72-8 60-29-7 ~% 16034-46-1

文献：Journal of the American Chemical Society, , vol. 80, p. 6271,6273 Justus Liebigs Annalen der Chemie, , vol. 625, p. 55,60

930-36-9 60-29-7 591-51-5 ~% 16034-46-1

文献：Journal of the American Chemical Society, , vol. 80, p. 6271,6273 Justus Liebigs Annalen der Chemie, , vol. 625, p. 55,60

上下游产品

上游产品  10
930-36-9 124-38-9 1621-91-6 77-78-1
201230-82-2 694-31-5 27258-33-9 109-72-8
60-29-7 591-51-5
下游产品  10
92534-69-5 92534-73-1 84547-61-5 84547-84-2
84547-59-1 84547-83-1 930-36-9 75092-30-7
137890-05-2 17827-60-0

海关

海关编码	2933199090
中文概述	2933199090. 其他结构上有非稠合吡唑环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%