2-Chloroquinoxaline 2-氯喹喔啉

CAS 1448-87-9 MFCD00043907

化学结构图

1448-87-9
SMILES: Clc1cnc2ccccc2n1

化学属性

Mol. FormulaC8H5ClN2
Mol. Weight165
Melting Point47-50
Boiling Point100
Density1.422
Flash Point>110 ºC
Appearance 类白色结晶,熔点 47-50℃ ,沸点 100℃ (1.4mmHg)

别名和识别编码

Chemical Name2-Chloroquinoxaline
CAS Number1448-87-9
Alfabeta NameCHLOROQUINOXALINE 2-
MDL NumberMFCD00043907
PubChem Substance ID238938
EC Number215-905-8
Synonym Quinoxaline, 2-chloro- {uni_hamburg} 2-CHLOROQUINOXALINE 2-Chloroquinoxaline ,99% 2-chloro-quinoxaline 2-氯喹噁啉 2-氯喹喔啉 2-氯喹恶啉 2-chloroquinoxaline
Beilstein Registry Number2384789
Chemical Name Translation2-氯喹喔啉
LabNetwork Molecule IDLN00146994
InChIInChI=1S/C8H5ClN2/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 6ring; 10ring; 1fragment
  • {KO} ReacChlorides
  • Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Quinoxalines
  • {SNA} Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Quinoxalines

相关文献及参考

  • Beil. 23 ,IV,1229
  • IR-Spectra (3), 1408:A / IR-Spectra (2), 1228:B
  • 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.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Precautionary statements
  • P305+P351+P338
Signal word Danger Warning
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H301 Toxic if swallowed 吞食有毒
Hazard Codes Xn T T,Xn
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Safety Statements
  • 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
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
UN Number UN 2811 6.1/PG 3 2811

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
0
H-bond Donors
0
LogP
2

其他信息

  • 上游原料:乙醇 --> 乙酸乙酯 --> N,N-二甲基甲酰胺 --> 石油醚 --> 甲苯 --> 三氯氧磷 --> N,N-二甲基苯胺 --> 1,2-苯二胺 --> 乙醛酸乙酯
  • Sigma Aldrich:1448-87-9(sigmaaldrich)
  • 存储注意事项:氮气保护
  • MOL 文件:1448-87-9.mol
  • 下游产品:磺胺喹恶啉
  • 用途一:用作医药和农药的中间体
  • 检测方法:HPLC,NMR

系列性分类


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