620-95-1

• 常用中文名：3-苄基吡啶
• 常用英文名：3-BENZYLPYRIDINE
• CAS号：620-95-1
• 分子式：C₁₂H₁₁N
• 分子量：169.22200
• 相关类别： 医药中间体 杂环化合物 吡啶类化合物 苄基吡啶
• 发布时间：2018-05-08 08:00:00
• 更新时间：2024-01-10 10:09:51

名称

• 中文名: 3-苄基吡啶
• 英文名: 3-Benzylpyridine
• 中文别名: 3-苯基甲基吡啶
• 英文别名: MFCD00006408; EINECS 210-661-9; 3-benzylpyridine

物化性质

• 密度: 1.044g/cm3
• 沸点: 286-287°C
• 熔点: 30°C
• 分子式: C₁₂H₁₁N
• 分子量: 169.22200
• 闪点: 30 °C
• 精确质量: 169.08900
• PSA: 12.89000
• LogP: 2.67240
• 折射率: 1.576
• 储存条件: 室温，干燥
• 分子结构:

  1、 摩尔折射率：53.65

  2、 摩尔体积（cm³/mol）：162.0

  3、 等张比容（90.2K）：412.4

  4、 表面张力（dyne/cm）：41.9

  5、 极化率（10^-24cm³）：21.27

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:1

  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12.9

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:138

  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：。

  2. 密度（g/mL,25/4℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：30

  5. 沸点（ºC,常压）：288

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：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（kPa,25ºC）：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: 3-Benzylpyridine 97% Material Safety Data Sheet Synonym: CAS: 620-95-1 Section 1 - Chemical Product MSDS Name:3-Benzylpyridine 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 620-95-1 3-benzylpyridine, 97% 97 210-661-9 Hazard Symbols: T Risk Phrases: 23/24/25 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Toxic by inhalation, in contact with skin and if swallowed. Potential Health Effects The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation. Section 4 - FIRST AID MEASURES Eyes: Not available. Skin: Not available. Ingestion: Not available. Inhalation: Not available. Notes to Physician: Treat symptomatically and supportively. Section 5 - FIRE FIGHTING MEASURES General Information: Not available. Extinguishing Media: Not available. Autoignition Temperature: Not available. Flash Point: 110 deg C ( 230.00 deg F) NFPA Rating: Not published. Explosion Limits, Lower: Not available. Upper: Not available. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Not available. Section 7 - HANDLING and STORAGE Handling: Not available. Storage: Not available. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Personal Protective Equipment Eyes: Not available. Skin: Not available. Clothing: Not available. Respirators: Not available. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Not available. Appearance: after melting, clear brown Odor: Not available. pH: Not available. Vapor Pressure: Not available. Vapor Density: Not available. Evaporation Rate: Not available. Viscosity: Not available. Boiling Point: 287.0 - 288.0 deg C @ 760.00mm Hg Freezing/Melting Point: 0 deg C Decomposition Temperature: Not available. Solubility: Not available. Specific Gravity/Density: 1.0420g/cm3 Molecular Formula: C12H11N Molecular Weight: 169.23 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Not available. Incompatibilities with Other Materials: Not available. Hazardous Decomposition Products: Not available. Hazardous Polymerization: Not available. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 620-95-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-benzylpyridine, 97% - Not listed by ACGIH, IARC, NIOSH, NTP, or OSHA. See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION For further information, contact Fisher Scientific. Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION CDG/CPL IMO Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2810 Packing Group: III IATA Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2810 Packing Group: III RID/ADR Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S. Dangerous Goods Code: 6.1(25C) UN Number: 2810 Canadian TDG No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: T Risk Phrases: R 23/24/25 Toxic by inhalation, in contact with skin and if swallowed. Safety Phrases: S 23 Do not inhale gas/fumes/vapour/spray. WGK (Water Danger/Protection) CAS# 620-95-1: Canada None of the chemicals in this product are listed on the DSL/NDSL list. WHMIS: Not available. CAS# 620-95-1 is not listed on Canada's Ingredient Disclosure List. Exposure Limits US FEDERAL TSCA CAS# 620-95-1 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): R20/21/22
• 安全声明 (欧洲): S26-S36/37/39
• 海关编码: 2933399090

合成路线

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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%