4-Chlorobenzenecarbaldehyde oxime 4-氯苯甲醛肟

CAS 3848-36-0 MFCD00016412

化学结构图

3848-36-0
SMILES: ON=Cc1ccc(Cl)cc1

化学属性

Mol. FormulaC7H6ClNO
Mol. Weight155.58
Melting Point108-110 °C
Boiling Point233.2 °C at 760 mmHg

别名和识别编码

Chemical Name4-Chlorobenzenecarbaldehyde oxime
CAS Number3848-36-0
Alfabeta NameCHLOROBENZENECARBALDEHYDEOXIME 4-
MDL NumberMFCD00016412
Synonym 4-Chlorobenzenecarbaldehyde oxime {LY} 4-Chlorobenzenecarbaldehyde oxime {} {LY} 4-Chlorobenzenecarbaldehyde oxime {} {} {LY} 4-Chlorobenzenecarbaldehyde oxime {} {} {} {LY} 4-Chlorobenzenecarbaldehyde oxime {} {} {} {} {LY} 4-Chlorobenzenecarbaldehyde oxime {} {} {} {} {} {LY} 4-Chlorobenzenecarbaldehyde oxime {} {} {} {} {} {} {LY} 4-Chlorobenzenecarbaldehyde oxime {} {} {} {} {} {} {} {LY} 4-Chlorobenzenecarbaldehyde oxime {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzenecarbaldehyde oxime {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzenecarbaldehyde oxime {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzenecarbaldehyde oxime {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzenecarbaldehyde oxime {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzenecarbaldehyde oxime {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzenecarbaldehyde oxime {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzenecarbaldehyde oxime {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Chemical Name Translation4-氯苯甲醛肟
LabNetwork Molecule IDLN04553091
PubChem Substance ID5356407
InChIInChI=1S/C7H6ClNO/c8-7-3-1-6(2-4-7)5-9-10/h1-5,10H/b9-5+
Canonical SMILESClC1=CC=C(/C=N/O)C=C1
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分类

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

相关文献及参考

  • Short: III/35B Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Fluorine-19 and Nitrogen-15 Author: Balasubramanian, M.; Gupta, R.R.; Jain, M.; Perumal, S. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35B Year: 1998 ISBN: 3-540-63275-1 ISBN: 978-3-540-63275-7 Internet Resource: DOI:10.1007/b55685 RefComment: VII, 242 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CO-ROM's.

安全信息

Warnings IRRITANT
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
Precautionary statements
  • 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。
  • P301+P310
  • P301+P316
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....

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
2
H-bond Donors
1
LogP
2

系列性分类

  1. Functional Group 官能团索引
  2. oxime

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