114-33-0

• 常用中文名：N-甲基烟酰胺
• 常用英文名：N-METHYLNICOTINAMIDE
• CAS号：114-33-0
• 分子式：C₇H₈N₂O
• 分子量：136.15100
• 相关类别： 化学试剂 有机试剂 酰胺
• 发布时间：2018-02-21 08:00:00
• 更新时间：2024-01-10 15:03:01

名称

• 中文名: N-甲基烟酰胺
• 英文名: N-methylnicotinamide
• 英文别名: Nicotinic acid methylamide; N-Methylnicotinamide; N-methylnicotineamide; EINECS 204-046-4; MFCD00006384; N-methylpyridine-3-carboxamide; N-Methylnicotinsaeureamid; N-methyl nicotinamide; 3-Pyridinecarboxamide,N-methyl; N-Methyl-3-pyridinecarboxamide; Nicotinamide,N-methyl; Nicotinyl Methylamide

物化性质

• 密度: 1.106 g/cm3
• 沸点: 347.7ºC at 760 mmHg
• 熔点: 102-105 °C(lit.)
• 分子式: C₇H₈N₂O
• 分子量: 136.15100
• 闪点: 164.1ºC
• 精确质量: 136.06400
• PSA: 41.99000
• LogP: 0.83210
• 外观性状: 白色至淡黄色-米色结晶粉末
• 蒸汽压: 5.3E-05mmHg at 25°C
• 折射率: 1.529
• 储存条件: 2-8C
• 分子结构:

  五、分子性质数据：

  1、 摩尔折射率：37.96

  2、 摩尔体积（m³/mol）：123.0

  3、 等张比容（90.2K）：314.5

  4、 表面张力（dyne/cm）：42.7

  5、 极化率（10^-24cm³）：15.05

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  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:2

  6.拓扑分子极性表面积42

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:125

  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

MSDS

Name: N-Methylnicotinamide 98% Material Safety Data Sheet Synonym: None Known CAS: 114-33-0 Section 1 - Chemical Product MSDS Name:N-Methylnicotinamide 98% Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 114-33-0 N-Methylnicotinamide 98% 204-046-4 Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. May cause chemical conjunctivitis. Skin: Causes skin irritation. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Inhalation: Causes respiratory tract irritation. Can produce delayed pulmonary edema. Chronic: Effects may be delayed. Section 4 - FIRST AID MEASURES Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Storage: Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. 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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. Exposure Limits CAS# 114-33-0: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to minimize contact with skin. 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: Powder and chunks Color: white to light beige Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 102.00 - 105.00 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: C7H8N2O Molecular Weight: 136.15 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, dust generation, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 114-33-0 unlisted. LD50/LC50: Not available. Carcinogenicity: N-Methylnicotinamide - 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 Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: 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 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 114-33-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 114-33-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 114-33-0 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

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
• WGK德国: 3
• 海关编码: 2933399090

合成路线

95091-91-1 ~79% 114-33-0

文献：Cutulic, Sylvain P. Y.; Murphy, John A.; Farwaha, Hardeep; Zhou, Sheng-Ze; Chrystal, Ewan Synlett, 2008 , # 14 p. 2132 - 2136

59-67-6 593-51-1 ~80% 114-33-0

文献：Khalafi-Nezhad, Ali; Zare, Abdolkarim; Parhami, Abolfath; Rad, Mohammad Navid Soltani; Nejabat, Gholam Reza Phosphorus, Sulfur and Silicon and the Related Elements, 2007 , vol. 182, # 3 p. 657 - 666

614-18-6 84738-96-5 ~89% 114-33-0

文献：Levin, Jeremy I.; Turos, Edward; Weinreb, Steven M. Synthetic Communications, 1982 , vol. 12, # 13 p. 989 - 994

614-18-6 74-89-5 ~% 114-33-0

文献：Arch. Sci. phys. nat. Geneve, vol. <4> 5, p. 118 Chem. Zentralbl., , vol. 69, # I p. 677

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%