4-Pyridinecarboxaldehyde 4-吡啶甲醛

CAS 872-85-5 MFCD00006425

化学结构图

872-85-5
SMILES: O=CC1C=CN=CC=1

化学属性

Mol. FormulaC6H5NO
Mol. Weight107.11
Density1.137
Refractive index1.5420 to 1.5460
Boiling Point71-73°C at 10 mmHg
Flash Point54.4 °C
TSCAYes
Melting Point-4 °C
SolubilitySoluble in water (20 mg/ml at 20 °C), ethanol, and acetone.
Stability对空气、光线敏感
Appearance 微黄色油状液体。沸点82-83℃（2.13kPa），相对密度1.122，折光率1.5352（25℃）。闪点54℃。能溶于水及乙醚。 liquid (clear)
pH:A

别名和识别编码

Chemical Name4-Pyridinecarboxaldehyde
Synonym γ-Formylpyridine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
MDL NumberMFCD00006425
CAS Number872-85-5
EC Number212-832-3
Beilstein Registry Number105342
PubChem Substance ID87571531
Alfabeta NamePYRIDINECARBALDEHYDE 4--
Reaxys-RN105342
Chemical Name Translation4-吡啶甲醛
InChIKeyBGUWFUQJCDRPTL-UHFFFAOYSA-N
LabNetwork Molecule IDLN00008362
Canonical SMILESO=CC1=CC=NC=C1
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分类

  • {SNA} Aldehydes, Building Blocks, C1 to C6, C6, Carbonyl Compounds, Chemical Synthesis, Heterocyclic Building Blocks, Organic Building Blocks, Pyridines
  • {uni_hamburg} no charge; nitrogen heterocycle; aromatic; 6RingOnly; 6ring; aldehyde; 1fragment

产品应用

  • 用于有机合成。

相关文献及参考

  • Short: II/19b
  • Short: II/19c
  • In the presence of DBU, converts amines to carbonyl compounds, e.g. benzylamines to benzaldehydes: Synthesis, 756 (1982):
  • The reaction is also useful for the conversion of ɑ-amino acids to ɑ-keto acids.
  • Short: II/14a
  • Beilstein: 21,V,7,351

安全信息

Signal word
GHS Symbol
WGK Germany1
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；
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
  • R10 Flammable 易燃
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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338+P337+P313
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P403+P235
Hazard statements
  • 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
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSNR9400000
Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen Air & Light Sensitive {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored
Hazard Codes 3
UN Number 1993 1989
Warnings IRRITANT
Packing GroupIII
Hazard Class3.2 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AECTCV Archives of Environmental Contamination and Toxicology.
   (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ
   070944)  V.1-    1973-  Volume(issue)/page/year: 14,111,1985

其他信息

  • MOL 文件:872-85-5.mol
  • 方法一:由4-甲基吡啶氧化而得。将4-甲基吡啶和空气的混合气，流过升温到400℃的钒-钼触媒层，氧化生成吡啶-4-甲醛。
  • 海关编码:29333999
  • 4-吡啶甲醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010219 吡啶-4-甲醛 25g 180元 2011/08/23 L0398201 吡啶-4-甲醛97％ 25g 298元 2011/04/16 I0143 4-吡啶甲醛 4-Pyridinecarboxaldehyde 25ML 496元
  • Sigma Aldrich:872-85-5(sigmaaldrich)
  • color:clear brown-yellow
  • TCI Shanghai:4-吡啶甲醛 4-Pyridinecarboxaldehyde,>;96.0%(GC)(872-85-5)
  • 图谱信息:4-吡啶甲醛(872-85-5)质谱(MS) 4-吡啶甲醛(872-85-5)核磁图( 1 HNMR) 4-吡啶甲醛(872-85-5)核磁图( 13 CNMR) 4-吡啶甲醛(872-85-5)红外图谱(IR1)
  • 用途二:用于有机合成。
  • MSDS 信息:Isonicotinaldehyde(872-85-5).msds
  • 存储注意事项:氮气保护
  • 敏感性:Air Sensitive
  • Hazard Note:Irritant/Keep Cold/Air Sensitive
  • 用途一:用作有机合成试剂
  • Acros Organics:4-吡啶甲醛 4-Pyridinecarboxaldehyde, 98%(872-85-5)
  • F:8-10-23
  • Alfa Aesar:吡啶-4-甲醛,97% Pyridine-4-carboxaldehyde, 97%(872-85-5)
  • 检测方法:GC,NMR
  • 下游产品:1,2-二(4-吡啶基)乙烯 --> 1-(4-吡啶甲基)哌嗪 --> 4-吡啶甲醛肟
  • 水中溶解度:20 g/L (20°C)，溶于乙醇、丙酮和甲苯。

系列性分类

  1. C6 - Pyridines
  1. C6 - Pyridines
  1. C5
  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