94015-05-1

• 常用中文名：4-甲基烟碱盐酸盐
• 常用英文名：4-Methylnicotinic acid hydrochloride
• CAS号：94015-05-1
• 分子式：C₇H₈ClNO₂
• 分子量：173.597
• 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：2018-06-15 09:38:55
• 更新时间：2024-01-05 08:13:16
• 下载msds

名称

• 中文名: 4-甲基烟酸盐酸盐
• 英文名: 4-Methylnicotinic acid hydrochloride
• 中文别名: 4-甲基吡啶-3-羧酸盐酸盐
• 英文别名: 4-methylpyridine-3-carboxylic acid, hydrochloride; 4-Methylnicotinic acid hydrochloride (1:1); 3-Pyridinecarboxylic acid, 4-methyl-, hydrochloride (1:1); MFCD00832700; T6NJ CVQ D1 &&HCl

物化性质

• 密度: 1.23g/cm3
• 沸点: 304.1ºC at 760 mmHg
• 熔点: 241ºC
• 分子式: C₇H₈ClNO₂
• 分子量: 173.597
• 闪点: 137.7ºC
• 精确质量: 173.024353
• PSA: 50.19000
• LogP: 1.89020
• 外观性状: 黄色 固体
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。远离水源，氧化剂。

• 稳定性:

  常温常压下稳定，避免与水分，强氧化剂接触。

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：1.4

  2、 氢键供体数量：0

  3、 氢键受体数量：3

  4、 可旋转化学键数量：0

  5、 互变异构体数量：

  6、 拓扑分子极性表面积（TPSA）：53

  7、 重原子数量：10

  8、 表面电荷：-1

  9、 复杂度：130

  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. 性状：浅棕色粉末

  2. 密度（g/mL,25℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：205

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC，1.5mmHg）：未确定

  7. 折射率(n20/D)：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（mmHg,20ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：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: 4-Methylnicotinic acid hydrochloride 97% Material Safety Data Sheet Synonym: 4-Methylpyridine-3-carboxylic acid hydrochlorid CAS: 94015-05-1 Section 1 - Chemical Product MSDS Name:4-Methylnicotinic acid hydrochloride 97% Material Safety Data Sheet Synonym:4-Methylpyridine-3-carboxylic acid hydrochlorid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 94015-05-1 4-Methylnicotinic acid hydrochloride 97% unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause 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. 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 94015-05-1: 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: cream Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. 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: C7H8ClNO2 Molecular Weight: 174 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, reducing agents, bases. Hazardous Decomposition Products: Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 94015-05-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Methylnicotinic acid 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: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 94015-05-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 94015-05-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 94015-05-1 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: 对水稍微危害，避免未稀释或大量的产品接触地下水、水道或污水系统。 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): 26-36/37/39
• 海关编码: 2933399090

合成路线

68981-84-0 ~71% 94015-05-1

文献：Moos; Bergmeier; Coughenour; Davis; Hershenson; Kester; McKee; Marriott; Schwarz; Tecle; Thomas Journal of Pharmaceutical Sciences, 1992 , vol. 81, # 10 p. 1015 - 1019

68981-86-2 ~% 94015-05-1

文献：Journal of Pharmaceutical Sciences, , vol. 81, # 10 p. 1015 - 1019

上下游产品

上游产品  2
68981-84-0 68981-86-2
下游产品  5
33402-75-4 7250-52-4 155136-54-2 6344-79-2
55314-29-9

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%