6971-44-4

• 常用中文名：N-甲基-N-(4-吡啶甲基)胺
• 常用英文名：N-Methyl-1-(4-pyridinyl)methanamine
• CAS号：6971-44-4
• 分子式：C₇H₁₀N₂
• 分子量：122.168
• 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：2018-08-13 17:06:27
• 更新时间：2024-01-01 21:34:38

名称

• 中文名: N-甲基-4-吡啶甲胺
• 英文名: N-methyl-N-(4-pyridylmethyl)amine
• 中文别名: N-甲基-N-(4-吡啶甲基)胺
• 英文别名: N-methyl-1-pyridin-4-ylmethanamine; N-Methyl-1-(4-pyridinyl)methanamine; 4-Pyridinemethanamine, N-methyl-; N-methyl-1-(pyridin-4-yl)methanamine; MFCD00066937; N-METHYL-N-(4-PYRIDINYLMETHYL)AMINE; METHYLPYRIDIN-4-YLMETHYLAMINE

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 200.0±15.0 °C at 760 mmHg
• 分子式: C₇H₁₀N₂
• 分子量: 122.168
• 闪点: 74.7±20.4 °C
• 精确质量: 122.084396
• PSA: 24.92000
• LogP: 0.03
• 蒸汽压: 0.3±0.4 mmHg at 25°C
• 折射率: 1.515
• 储存条件: 室温，干燥
• 分子结构:

  1、 摩尔折射率：37.48

  2、 摩尔体积（cm³/mol）：124.2

  3、 等张比容（90.2K）：305.9

  4、 表面张力（dyne/cm）：36.7

  5、 极化率（10-24cm3）：14.86

• 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:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积24.9

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:67.3

  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-Methyl-N-(4-pyridinylmethyl)amine Material Safety Data Sheet Synonym: None Known CAS: 6971-44-4 Section 1 - Chemical Product MSDS Name:N-Methyl-N-(4-pyridinylmethyl)amine Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 6971-44-4 N-Methyl-N-(4-pyridinylmethyl)amine 97+ 230-198-6 Hazard Symbols: C Risk Phrases: 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns. Potential Health Effects Eye: Causes eye burns. Skin: Causes skin burns. Ingestion: Causes gastrointestinal tract burns. Inhalation: Causes chemical burns to the respiratory tract. Chronic: Chronic exposure may cause effects similar to those of acute exposure. Section 4 - FIRST AID MEASURES Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid immediately. Skin: In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid immediately. Wash clothing before reuse. Ingestion: If swallowed, do NOT induce vomiting. Get medical aid immediately. If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. Notes to Physician: 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. Extinguishing Media: 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Discard contaminated shoes. Use only with adequate ventilation. Storage: Keep container closed when not in use. Store under an inert atmosphere. 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# 6971-44-4: 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 prevent skin exposure. Respirators: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: colorless Odor: slight pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 86 deg C @ 3mmHg 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: C7H10N2 Molecular Weight: 122.17 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: None reported. Incompatibilities with Other Materials: Oxidizing agents, acids, acid chlorides. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 6971-44-4 unlisted. LD50/LC50: Not available. Carcinogenicity: N-Methyl-N-(4-pyridinylmethyl)amine - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Ecotoxicity: Fish: Pseudomonas putida: Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S. Hazard Class: 8 UN Number: 2735 Packing Group: III IMO Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S. Hazard Class: 8 UN Number: 2735 Packing Group: III RID/ADR Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S. Hazard Class: 8 UN Number: 2735 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: C Risk Phrases: R 34 Causes burns. Safety Phrases: S 6 Keep under nitrogen. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 6971-44-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 6971-44-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 6971-44-4 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
• 风险声明 (欧洲): 22-34
• 安全声明 (欧洲): 23-26-36/37/39-45
• 危险品运输编码: 2922
• 海关编码: 2933399090

合成路线

872-85-5 74-89-5 ~% 6971-44-4

文献：WO2006/80954 A1, ; Page/Page column 80 ;

16273-55-5 ~% 6971-44-4

文献：Journal of Medicinal Chemistry, , vol. 38, # 11 p. 1892 - 1903

872-85-5 ~% 6971-44-4

文献：Journal of Medicinal Chemistry, , vol. 38, # 11 p. 1892 - 1903

1822-51-1 74-89-5 ~71% 6971-44-4

文献：Zara-Kaczian, Erzsebet; Deak, Gyula; Gyoergy, Lajos Acta Chimica Hungarica, 1989 , vol. 126, # 4 p. 441 - 454

42182-68-3 ~% 6971-44-4

文献：Tetrahedron Letters, , vol. 26, # 48 p. 5863 - 5866

3731-53-1 ~% 6971-44-4

文献：Tetrahedron Letters, , vol. 26, # 48 p. 5863 - 5866

56625-05-9 ~% 6971-44-4

文献：Tetrahedron Letters, , vol. 26, # 48 p. 5863 - 5866

872-85-5 593-51-1 ~% 6971-44-4

文献：Archiv der Pharmazie (Weinheim, Germany), , vol. 320, # 7 p. 647 - 654

上下游产品

上游产品  8
872-85-5 74-89-5 16273-55-5 1822-51-1
42182-68-3 3731-53-1 56625-05-9 593-51-1
下游产品  0

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%