51285-26-8

• 常用中文名：2-脒基吡啶盐酸盐
• 常用英文名：Picolinimidamide hydrochloride
• CAS号：51285-26-8
• 分子式：C₆H₈ClN₃
• 分子量：157.601
• 相关类别： 医药中间体 杂环化合物 吡啶类化合物 吡啶衍生物
• 发布时间：2018-06-29 11:50:07
• 更新时间：2024-01-13 10:54:49

名称

• 中文名: 2-脒基吡啶盐酸盐
• 英文名: Picolinimidamide Hydrochloride
• 中文别名: 2-脒基吡啶 盐酸盐
• 英文别名: 2-Pyridinecarboximidamide, hydrochloride (1:1); Pyridine-2-carboximidamide hydrochloride (1:1); MFCD00052271; pyridine-2-carboximidamide,hydrochloride; Picolinimidamide hydrochloride; Pyridine-2-carboximidamide hydrochloride; Pyridin-2-carboximidamidhydrochlorid; 2-Pyridinecarboximidamide hydrochloride (1:1); Pyridine-2-carboximidamide chlorhydrate; 2-Amidinopyridinium chloride

物化性质

• 沸点: 240.7ºC at 760 mmHg
• 熔点: 150-152°C
• 分子式: C₆H₈ClN₃
• 分子量: 157.601
• 闪点: 99.4ºC
• 精确质量: 157.040680
• PSA: 62.76000
• LogP: 1.96770
• 外观性状: 粉末
• 储存条件:

  保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

• 稳定性:

  如果遵照规格使用和储存则不会分解，未有已知危险反应

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:3

  3.氢键受体数量:2

  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62.8

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:111

  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:2

• 更多:

  1. 性状：粉末

  2. 密度（g/mL,25ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）： 未确定

  4. 熔点（ºC）：150-152

  5. 沸点（ºC）：未确定

  6. 沸点（ºC，12mm hg）：未确定

  7. 折射率：未确定

  8. 闪点（°F）：未确定

  9. 比旋光度（ºC）：未确定

  10. 自燃点或引燃温度（ºC）： 未确定

  11. 蒸气压（kPa,20ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

MSDS

Name: Pyridine-2-carboximidamide hydrochloride 97% Material Safety Data Sheet Synonym: 2-Amidinopyridine hydrochloride2-Amidinopyridinium hydrochlorid CAS: 51285-26-8 Section 1 - Chemical Product MSDS Name:Pyridine-2-carboximidamide hydrochloride 97% Material Safety Data Sheet Synonym:2-Amidinopyridine hydrochloride2-Amidinopyridinium hydrochlorid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 51285-26-8 Pyridine-2-carboximidamide hydrochlori 97% unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin.Hygroscopic (absorbs moisture from the air). Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Treat symptomatically and supportively. Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 51285-26-8: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: white crystalline solid Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 143 - 145 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C6H8ClN3 Molecular Weight: 158 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials, exposure to moist air or water. Incompatibilities with Other Materials: Oxidizing agents, bases, acid chlorides. Hazardous Decomposition Products: Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 51285-26-8 unlisted. LD50/LC50: Not available. Carcinogenicity: Pyridine-2-carboximidamide hydrochloride - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 51285-26-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 51285-26-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 51285-26-8 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境

安全

• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36-S37/39
• 海关编码: 2933399090

合成路线

100-70-9 ~72% 51285-26-8

文献：Zhang, Pengtao; Yang, Xinye; Zhang, Feiran; Gabelli, Sandra B.; Wang, Renxiao; Zhang, Yihua; Bhat, Shridhar; Chen, Xiaochun; Furlani, Manuel; Amzel, L. Mario; Liu, Jun O.; Ma, Dawei Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 9 p. 2600 - 2617

19547-38-7 ~% 51285-26-8

文献：Huixia, Xu; Yan, Yue; Litao, Qu; Yuying, Hao; Hua, Wang; Liuqing, Chen; Bingshe, Xu Dyes and Pigments, 2013 , vol. 99, # 1 p. 67 - 73

52313-50-5 ~% 51285-26-8

文献：PHARMACIA CORPORATION Patent: WO2005/40133 A1, 2005 ; Location in patent: Page/Page column 126 ; WO 2005/040133 A1

41050-95-7 ~% 51285-26-8

文献：BAYER CROPSCIENCE AG Patent: WO2005/79798 A1, 2005 ; Location in patent: Page/Page column 147 ;

上下游产品

上游产品  4
100-70-9 19547-38-7 52313-50-5 41050-95-7
下游产品  10
77168-31-1 56406-45-2 55417-80-6 10198-83-1
338404-77-6 10198-74-0 204394-52-5 657411-85-3
88584-28-5 97603-38-8

海关

海关编码	2933399090
中文概述	2933399090. 其他结构含非稠合吡啶环的化合物. 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	2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%