86847-71-4

• 常用中文名：4-[(2,2-二甲基丙酰基)氨基]吡啶-3-甲醛
• 常用英文名：N-(3-Formyl-4-pyridinyl)-2,2-dimethylpropanamide
• CAS号：86847-71-4
• 分子式：C₁₁H₁₄N₂O₂
• 分子量：206.241
• 发布时间：2018-10-12 17:47:40
• 更新时间：2024-01-05 17:52:34
• 下载msds

名称

• 中文名: 4-[(2,2-二甲基丙酰基)氨基]吡啶-3-甲醛
• 英文名: N-(3-Formyl-pyridin-4-yl)-2,2-dimethyl-propionamide
• 中文别名: N-(3-甲酰-4-吡啶基)-2,2-二甲基丙胺
• 英文别名: MFCD03086208; N-(3-Formyl-4-pyridinyl)-2,2-dimethylpropanamide; N-(3-Formylpyridin-4-yl)-2,2-dimethylpropanamide; Propanamide, N-(3-formyl-4-pyridinyl)-2,2-dimethyl-

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 406.1±30.0 °C at 760 mmHg
• 熔点: 60-63ºC
• 分子式: C₁₁H₁₄N₂O₂
• 分子量: 206.241
• 闪点: 199.4±24.6 °C
• 精确质量: 206.105530
• PSA: 59.06000
• LogP: 2.51
• 蒸汽压: 0.0±0.9 mmHg at 25°C
• 折射率: 1.584
• 储存条件: 2-8°C
• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.4

  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:3

  5.互变异构体数量:5

  6.拓扑分子极性表面积59.1

  7.重原子数量:15

  8.表面电荷:0

  9.复杂度:246

  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）：60～63

MSDS

Name: n-(3-Formyl-4-pyridinyl)-2 2-dimethylpropanamide 97% Material Safety Data Sheet Synonym: CAS: 86847-71-4 Section 1 - Chemical Product MSDS Name:n-(3-Formyl-4-pyridinyl)-2 2-dimethylpropanamide 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 86847-71-4 N-(3-Formyl-4-pyridinyl)-2,2-dimethylp 97% unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin.Air sensitive. 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. 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# 86847-71-4: 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: yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 60 - 63 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: C11H14N2O2 Molecular Weight: 206.24 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials, exposure to air. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 86847-71-4 unlisted. LD50/LC50: Not available. Carcinogenicity: N-(3-Formyl-4-pyridinyl)-2,2-dimethylpropanamide - 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# 86847-71-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 86847-71-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 86847-71-4 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H317-H319
• 警示性声明: P280-P305 + P351 + P338
• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): 26-36/37/39
• 危险品运输编码: NONH for all modes of transport
• 海关编码: 2933399090

合成路线

70298-89-4 68-12-2 ~99% 86847-71-4

文献：Dr. Karl Thomae GmbH Patent: US6344/449 B1, 2002 ; Location in patent: Example A3b) ; Title/Abstract Full Text Show Details Dr. Karl Thomae GmbH Patent: US6344449 B1, 2002 ; Location in patent: Example A3b) ;

70298-89-4 ~67% 86847-71-4

文献：Li, Qun; Woods, Keith W.; Zhu, Gui-Dong; Fischer, John P.; Gong, Jianchun; Li, Tongmei; Gandhi, Virajkumar; Thomas, Sheela A.; Packard, Garrick K.; Song, Xiaohong; Abrams, Jason N.; Diebold, Robert; Dinges, Jurgen; Hutchins, Charles; Stoll, Vincent S.; Rosenberg, Saul H.; Giranda, Vincent L. Patent: US2003/187026 A1, 2003 ; US 20030187026 A1

504-24-5 ~% 86847-71-4

文献：Journal of Organic Chemistry, , vol. 48, # 20 p. 3401 - 3408

3282-30-2 ~% 86847-71-4

文献：Journal of Organic Chemistry, , vol. 48, # 20 p. 3401 - 3408

504-24-5 3282-30-2 ~% 86847-71-4

文献：WO2013/13817 A1, ; WO 2013/013817 A1

上下游产品

上游产品  4
70298-89-4 68-12-2 504-24-5 3282-30-2
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42373-30-8 138116-34-4

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%