4-Benzylpyridine 4-苄基吡啶

CAS 2116-65-6 MFCD00006443

化学结构图

2116-65-6
SMILES:

化学属性

Mol. FormulaC₁₂H₁₁N
Mol. Weight169.22
Refractive index1.5800 to 1.5830
Boiling Point-
Density1.061
Flash Point-
TSCAYes
Melting Point9-11°
Solubility不溶于水,可混溶于乙醇、乙醚。

别名和识别编码

Chemical Name4-Benzylpyridine
Synonym -BenzylPyridine 4-(PHENYLMETHYL)PYRIDINE 4-(Phenylmethyl)-pyridin 4-(phenylmethyl)-pyridin 4-(苯甲基)吡啶 4-BENZYLPYRIDINE 4-Benzylpyridine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL Number-
CAS Number2116-65-6
PubChem Substance ID87563474
EC Number218-319-0
Beilstein Registry Number115831
Reaxys-RN115831
Chemical Name Translation4-苄基吡啶
Wiswesser Line NotationT6NJ D1R
LabNetwork Molecule IDLN00220496
Canonical SMILES-
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SNA} B, Bioactive Small Molecules, Building Blocks, C12, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines, 细胞生物学
  • {SNA} B, Bioactive Small Molecule Alphabetical Index, Building Blocks, C12, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines, 生物活性小分子, 细胞生物学
  • {SNA} Building Blocks, C12, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines
  • {SNA} B, Bioactive Small Molecules, Building Blocks, C12, Cell Biology,

相关文献及参考

  • Short: III/35D3 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 3: Heterocycles Author: Gupta, R.R.; Jain, M.; Lechner, M.D.; Mikhova, B.M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D3 Year: 2007 Keyword: C-13; NMR; carbon-13; chemical shifts; coupling constants; heterocycles; nuclear magnetic resonance ISBN: 978-3-540-29731-4 ISBN: 3-540-29731-6 Internet Resource: DOI: 10.1007/978-3-540-47067-0 RefComment: VIII, 342 p., 1 illus., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. NMR is now a leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei B-11 and P-31, subvolume III/35B contains the nuclei F-19 and N-15, subvolume III/35C contains the nucleus H-1, subvolume III/35D contains the nucleus C-13, subvolume III/35E contains the nucleus O-17, and subvolume III/35G contains the nucleus Se-77. More nuclei are planned for future volumes.
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource:

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H302+H312+H332
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSUS2625000
Precautionary statements
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P304+P340+P312
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P332+P313
  • P302+P352+P312+P362+P364
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
Hazard Codes Xn
Storage condition 4 4°C Indoors
Warnings 危化品目录(2015)
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 630 uL/kg
TOXIC EFFECTS :
   Behavioral - tremor
   Lungs, Thorax, or Respiration - dyspnea
   Gastrointestinal - ulceration or bleeding from stomach
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0570988

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Bird - wild bird species
DOSE/DURATION           : 18 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   21,315,1972

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 560 uL/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - chromodacryorrhea
   Behavioral - somnolence (general depressed activity)
   Gastrointestinal - hypermotility, diarrhea
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0570988

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 25 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Gro

Restrict 危险品

其他信息

  • 上游原料:苄基氯
  • 急性毒性:静脉-小鼠 LD50: 25 毫克/公斤; 口服-野鸟LD50: 18 毫克/公斤
  • 图谱信息:4-苄基吡啶(2116-65-6)红外图谱(IR1) 4-苄基吡啶(2116-65-6)质谱(MS) 4-苄基吡啶(2116-65-6)红外图谱(IR2) 4-苄基吡啶(2116-65-6)核磁图( 1 HNMR) 4-苄基吡啶(2116-65-6)核磁图( 13 CNMR)
  • color:yellow
  • Alfa Aesar:4-苯甲基吡啶,99% 4-Benzylpyridine, 99%(2116-65-6)
  • 储运特性:库房通风低温干燥; 与氧化剂分开存放
  • Sigma Aldrich:2116-65-6(sigmaaldrich)
  • 方法一:由氯化苄和吡啶制取。
  • MSDS 信息:4-苯甲基吡啶(2116-65-6).msds
  • 类别:有毒物品
  • 4-苄基吡啶价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 B0437 4-苄基吡啶 4-Benzylpyridine 500ML 3080元 2011/04/16 B0437 4-苄基吡啶 4-Benzylpyridine 25ML 358元 2010/06/21 106160050 4-苄基吡啶 4-Benzylpyridine 97% 5 ML 201元
  • 爆炸物危险特性:与氧化剂反应激烈
  • 4-苄基吡啶价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0437 4-苄基吡啶 4-Benzylpyridine 25ML 351元 2011/04/16 B0437 4-苄基吡啶 4-Benzylpyridine 500ML 3080元 2010/06/21 106160050 4-苄基吡啶 4-Benzylpyridine 97% 5 ML 201元
  • Acros Organics:4-苄基吡啶 4-Benzylpyridine, 97%(2116-65-6)
  • TCI Shanghai:4-苄基吡啶 4-Benzylpyridine,>;98.0%(GC)(2116-65-6)
  • MOL 文件:2116-65-6.mol
  • 外观性质:浅黄色或黄色液体。
  • 灭火剂:干粉、泡沫、二氧化碳、砂土
  • 用途一:用作药物、染料的中间体。
  • 可燃性危险特性:明火易燃; 燃烧产生有毒氮氧化物烟雾
  • 毒性分级:剧毒
  • 下游产品:4-(4-硝基苄基)吡啶
  • 海关编码:29333999

系列性分类


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