Methyl 2-Formylbenzoate 2-醛基苯甲酸甲酯

CAS 4122-56-9 MFCD00204231

化学结构图

4122-56-9
SMILES: COC(=O)c1ccccc1C=O

化学属性

Mol. FormulaC9H8O3
Mol. Weight164.16
Boiling Point280°C at 760 mmHg
Melting Point68-71°C
Density1.422
Refractive index1.5411

别名和识别编码

Chemical NameMethyl 2-Formylbenzoate
CAS Number4122-56-9
Alfabeta NameMETHYLFORMYLBENZENECARBOXYLATE 2-
MDL NumberMFCD00204231
EC Number250-023-7
Beilstein Registry Number2384789
Synonym Methyl 2-formylbenzoate {LY} Methyl 2-formylbenzoate {} {LY} Methyl 2-formylbenzoate {} {} {LY} Methyl 2-formylbenzoate {} {} {} {LY} Methyl 2-formylbenzoate {} {} {} {} {LY} Methyl 2-formylbenzoate {} {} {} {} {} { {} {} {} {} {} {LY} Methyl 2-formylbenzoate {} {} {} {} {} {} {LY} Methyl 2-formylbenzoate {} {} {} {} {} {} {} {LY} Methyl 2-formylbenzoate {} {} {} {} {} {} {} {} {LY} Methyl 2-formylbenzoate {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} Methyl 2-formylbenzoate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-formylbenzoate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-formylbenzoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-formylbenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-formylbenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-formylbenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-formylbenzoate {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation2-醛基苯甲酸甲酯
LabNetwork Molecule IDLN00010881
PubChem Substance ID243003
InChIInChI=1S/C9H8O3/c1-12-9(11)8-5-3-2-4-7(8)6-10/h2-6H,1H3
Canonical SMILESO=C(OC)C1=CC=CC=C1C=O
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分类

  • {KO} Aldehydes
  • {KO} Esters

安全信息

Warnings IRRITANT
Signal word
GHS Symbol
WGK Germany3
Safety Statements
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
Precautionary statements
Hazard Codes Xi
Storage condition 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 under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitro

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
3
Rotatable Bonds
3
H-bond Donors
0
LogP
1

其他信息

  • Acros Organics:邻甲酰基苯甲酸甲酯 methyl 2-formylbenzoate(4122-56-9)
  • Hazard Note:Irritant
  • 2-醛基苯甲酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 TL00698EA 2-醛基苯甲酸甲酯 methyl 2-formylbenzoate 10 GR 2415元 2010/06/21 TL00698EE 2-醛基苯甲酸甲酯 methyl 2-formylbenzoate 50 GR 9105元 2010/06/21 TL00698DA 2-醛基苯甲酸甲酯 methyl 2-formylbenzoate 1 GR 735元
  • 上游原料:甲醇 --> 二氯甲烷 --> 氧氯化硫 --> 邻羧基苯甲醛
  • MOL 文件:4122-56-9.mol

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic aldehyde<including acetal,hemiacetal>

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