N-(4-Chlorophenyl)-2-chloroacetamide N-(4-氯苯基)-2-氯乙酰胺

CAS 3289-75-6 MFCD00018904

化学结构图

3289-75-6
SMILES: O=C(CCl)Nc1ccc(Cl)cc1

化学属性

Mol. FormulaC8H7Cl2NO
Mol. Weight204.05
Melting Point168 °C
Boiling Point368.8±27.0 °C at 760 mmHg

别名和识别编码

Chemical NameN-(4-Chlorophenyl)-2-chloroacetamide
CAS Number3289-75-6
Alfabeta NameCHLOROCHLOROPHENYLACETAMIDE N24()----
MDL NumberMFCD00018904
Synonym 2,4′-Dichloroacetanilide {LY} 2,4′-Dichloroacetanilide {} {LY} 2,4′-Dichloroacetanilide {} {} {LY} 2,4′-Dichloroacetanilide {} {} {} {LY} 2,4′-Dichloroacetanilide {} {} {} {} {LY} 2,4′-Dichloroacetanilide {} {} {} {} {} {LY} 2,4′-Dichloroacetanilide {} {} {} {} {} {} {LY} 2,4′-Dichloroacetanilide {} {} {} {} {} {} {} {LY} 2,4′-Dichloroacetanilide {} {} {} {} {} {} {} {} {LY} 2,4′-Dichloroacetanilide {} {} {} {} {} {} {} {} {} {LY} 2,4′-Dichloroacetanilide {} {} {} {} {} {} {} {} {} {} {LY} 2,4′-Dichloroacetanilide {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4′-Dichloroacetanilide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4′-Dichloroacetanilide {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4′-Dichloroacetanilide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4′-Dichloroacetanilide {} {} {} {} {} {} {} {} {} {}
Chemical Name TranslationN-(4-氯苯基)-2-氯乙酰胺
InChIKeyUDRCRMHFHHTVSN-UHFFFAOYSA-N
PubChem Substance ID94920
InChIInChI=1S/C8H7Cl2NO/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5H2,(H,11,12)
LabNetwork Molecule IDLN00133978
Canonical SMILESO=C(CCl)NC(C=C1)=CC=C1Cl
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; amide; 1fragment
  • {KO} ReacChlorides

相关文献及参考

  • Short: III/20b Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei Cl ... Rb Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20b Year: 1988 Keyword: NQR ISBN: 3-540-18483-X ISBN: 978-3-540-18483-6 Internet Resource: DOI:10.1007/b86664 RefComment: IX,717 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different branches of chemistry. The volumes cover data for more than 8,000 substances in the solid state. Data for free molecules have been published in volumes II/14 and II/15 of the New Series. The tables are arranged according to the atomic number of the elements.

安全信息

Warnings IRRITANT
Hazard Codes Xi
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • 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；
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
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 Acceptors
1
Rotatable Bonds
2
H-bond Donors
1
LogP
2

其他信息

  • MOL 文件:3289-75-6.mol
  • Acros Organics:N1-(4-氯苯基)-2-氯乙酰胺 N1-(4-chlorophenyl)-2-chloroacetamide(3289-75-6)
  • N-(4-氯苯基)-2-氯乙酰胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 SPB00454DA N-(4-氯苯基)-2-氯乙酰胺 N1-(4-chlorophenyl)-2-chloroacetamide 1 GR 690元
  • Hazard Note:Harmful
  • Sigma Aldrich:3289-75-6(sigmaaldrich)

系列性分类

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