1-(2-Chloroethoxy)-4-Nitrobenzene 2-氯乙基-4-硝基苯基醚

CAS 3383-72-0 MFCD00674505

化学结构图

3383-72-0
SMILES: O=[N+]([O-])c1ccc(OCCCl)cc1

化学属性

Mol. FormulaC8H8ClNO3
Mol. Weight201.61
Boiling Point332.1°C at 760 mmHg
Melting Point57-66°C

别名和识别编码

Chemical Name1-(2-Chloroethoxy)-4-Nitrobenzene
CAS Number3383-72-0
Alfabeta NameCHLOROETHOXYNITROBENZENE 124()----
MDL NumberMFCD00674505
Synonym 1-(2-Chloroethoxy)-4-nitrobenzene {LY} 1-(2-Chloroethoxy)-4-nitrobenzene {} {LY} 1-(2-Chloroethoxy)-4-nitrobenzene {} {} {LY} 1-(2-Chloroethoxy)-4-nitrobenzene {} {} {} {LY} 1-(2-Chloroethoxy)-4-nitrobenzene {} {} {} {} {LY} 1-(2-Chloroethoxy)-4-nitrobenzene {} {} {} {} {} {LY} 1-(2-Chloroethoxy)-4-nitrobenzene {} {} {} {} {} {} {LY} 1-(2-Chloroethoxy)-4-nitrobenzene {} {} {} {} {} {} {} {LY} 1-(2-Chloroethoxy)-4-nitrobenzene {} {} {} {} {} {} {} {} {LY} 1-(2-Chloroethoxy)-4-nitrobenzene {} {} {} {} {} {} {} {} {} {LY} 1-(2-Chloroethoxy)-4-nitrobenzene {} {} {} {} {} {} {} {} {} {} {LY} 1-(2-Chloroethoxy)-4-nitrobenzene {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(2-Chloroethoxy)-4-nitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(2-Chloroethoxy)-4-nitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(2-Chloroethoxy)-4-nitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(2-Chloroethoxy)-4-nitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID2764587
Beilstein Registry Number2097342
EC Number425-790-8
Chemical Name Translation2-氯乙基-4-硝基苯基醚
LabNetwork Molecule IDLN00151634
Reaxys-RN2097342
InChIInChI=1S/C8H8ClNO3/c9-5-6-13-8-3-1-7(2-4-8)10(11)12/h1-4H,5-6H2
Canonical SMILESC1=C(C=CC(=C1)OCCCl)[N+](=O)[O-]
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分类

  • {KO} Nitros
  • {KO} ReacChlorides

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Precautionary statements
  • P302+P352+P332+P313+P362+P364
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P305+P351+P338+P337+P313
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

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
2

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. Nitrogen Compounds 氮化合物
  5. Nitro Compounds 硝基化合物

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