3-(3,4-Dichlorophenyl)-3-oxopropanenitrile 3,4-二氯苯甲酰乙腈

CAS 4640-68-0 MFCD00067919

化学结构图

4640-68-0
SMILES: N#CCC(=O)c1ccc(Cl)c(Cl)c1

化学属性

Mol. FormulaC9H5Cl2NO
Mol. Weight214.05
Melting Point114-117 °C
TSCANo
Boiling Point398.4±37.0 °C at 760 mmHg

别名和识别编码

Chemical Name3-(3,4-Dichlorophenyl)-3-oxopropanenitrile
CAS Number4640-68-0
Alfabeta NameDICHLOROPHENYLOXOPROPANENITRILE 3343()----,
MDL NumberMFCD00067919
EC Number000-000-0
Beilstein Registry Number3267648
Synonym 3,4-Dichlorobenzoylacetonitrile {LY} 3,4-Dichlorobenzoylacetonitrile {} {LY} 3,4-Dichlorobenzoylacetonitrile {} {} {LY} 3,4-Dichlorobenzoylacetonitrile {} {} {} {LY} 3,4-Dichlorobenzoylacetonitrile {} {} {} {} {LY} 3,4-Dichlorobenzoylacetonitrile {} {} {} {} {} {LY} 3,4-Dichlorobenzoylacetonitrile {} {} {} {} {} {} {LY} 3,4-Dichlorobenzoylacetonitrile {} {} {} {} {} {} {} {LY} 3,4-Dichlorobenzoylacetonitrile {} {} {} {} {} {} {} {} {LY} 3,4-Dichlorobenzoylacetonitrile {} {} {} {} {} {} {} {} {} {LY} 3,4-Dichlorobenzoylacetonitrile {} {} {} {} {} {} {} {} {} {} {LY} 3,4-Dichlorobenzoylacetonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4-Dichlorobenzoylacetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4-Dichlorobenzoylacetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4-Dichlorobenzoylacetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4-Dichlorobenzoylaceton
Chemical Name Translation3,4-二氯苯甲酰乙腈
LabNetwork Molecule IDLN00116664
Canonical SMILESC1=CC(=C(C=C1C(=O)CC#N)Cl)Cl
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分类

  • {KO} Nitriles
  • {KO} Ketones

安全信息

Warnings IRRITANT
Safety Statements
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、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；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
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
Hazard Codes Xi
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

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 Donors
0
H-bond Acceptors
2
Rotatable Bonds
2
LogP
2

其他信息

  • MOL 文件:4640-68-0.mol
  • Alfa Aesar:3,4-二氯苯甲酰乙腈,96% 3,4-Dichlorobenzoylacetonitrile, 96%(4640-68-0)
  • 3,4-二氯苯甲酰乙腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 L10720 3,4-二氯苯甲酰乙腈, 96% 3,4-Dichlorobenzoylacetonitrile, 96% 5g 3192元 2010/05/25 L10720 3,4-二氯苯甲酰乙腈, 96% 3,4-Dichlorobenzoylacetonitrile, 96% 1g 798元

系列性分类