3-(Pyridin-3-Yl)Propan-1-Ol 3-吡啶丙醇

CAS 2859-67-8 MFCD00006414

化学结构图

2859-67-8
SMILES: OCCCc1cccnc1

化学属性

Mol. FormulaC8H11NO
Mol. Weight137.18
Melting PointOil (°C)
Refractive index1.5270 to 1.5320
Boiling Point130-133 °C at 3 mmHg
Density1.063 g/mL at 25 °C(lit.)
Flash Point>110 ºC
Appearance 棕色液体，密度 1.063，沸点 130-133℃，折射率 1.53，闪点 >;110℃

别名和识别编码

Chemical Name3-(Pyridin-3-Yl)Propan-1-Ol
CAS Number2859-67-8
MDL NumberMFCD00006414
Alfabeta NamePYRIDINYLPROPANOL 331()-----
Synonym 3-(Pyridin-3-yl)propan-1-ol {LY} 3-(Pyridin-3-yl)propan-1-ol {} {LY} 3-(Pyridin-3-yl)propan-1-ol {} {} {LY} 3-(Pyridin-3-yl)propan-1-ol {} {} {} {LY} 3-(Pyridin-3-yl)propan-1-ol {} {} {} {} {LY} 3-(Pyridin-3-yl)propan-1-ol {} {} {} {} {} {LY} 3-(Pyridin-3-yl)propan-1-ol {} {} {} {} {} {} {LY} 3-(Pyridin-3-yl)propan-1-ol {} {} {} {} {} {} {} {LY} 3-(Pyridin-3-yl)propan-1-ol {} {} {} {} {} {} {} {} {LY} 3-(Pyridin-3-yl)propan-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Pyridin-3-yl)propan-1-ol {} {} {} {} {} {} {} {} {} {} {LY} 3-(Pyridin-3-yl)propan-1-ol {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Pyridin-3-yl)propan-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Pyridin-3-yl)propan-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Pyridin-3-yl)propan-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Pyridin-3-yl)propan-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Pyridin-3-yl)propa
PubChem Substance ID17861
EC Number220-675-7
Reaxys-RN112609
Chemical Name Translation3-吡啶丙醇
Wiswesser Line NotationT6NJ C3Q
Beilstein Registry Number0112609
InChIKeyZUGAIMFLQLPTKB-UHFFFAOYSA-N
LabNetwork Molecule IDLN00175576
InChIInChI=1S/C8H11NO/c10-6-2-4-8-3-1-5-9-7-8/h1,3,5,7,10H,2,4,6H2
Canonical SMILESC1=CC(=CN=C1)CCCO
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分类

  • {KO} Alcohols
  • {SNA} Building Blocks, C8, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSUT7390000
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • 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。
  • 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。
  • P301+P312
  • P302+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Hazard Codes Xi
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • 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；
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
Warnings IRRITANT 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 180 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 Ground, MD 21010)
   Volume(issue)/page/year: NX#01584

Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
2
Rotatable Bonds
3
H-bond Donors
1
LogP
1

其他信息

  • Sigma Aldrich:2859-67-8(sigmaaldrich)
  • Alfa Aesar:3-(3-Pyridyl)-1-propanol, 99%(2859-67-8)
  • 3-吡啶丙醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0350 3-吡啶丙醇 3-Pyridinepropanol 10G 526元
  • TCI Shanghai:3-吡啶丙醇 3-Pyridinepropanol,>;98.0%(GC)(2859-67-8)
  • 图谱信息:3-吡啶丙醇(2859-67-8)核磁图( 1 HNMR) 3-吡啶丙醇(2859-67-8)核磁图( 13 CNMR) 3-吡啶丙醇(2859-67-8)红外图谱(IR1) 3-吡啶丙醇(2859-67-8)质谱(MS)
  • MOL 文件:2859-67-8.mol

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyridines 吡啶

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