2-Iodo-1-methyl-3-nitrobenzene 2-碘-3-硝基甲苯

CAS 6277-17-4 MFCD00091040

化学结构图

6277-17-4
SMILES: Cc1cccc([N+](=O)[O-])c1I

化学属性

Mol. FormulaC7H6INO2
Mol. Weight263.03
Melting Point64-68°C
Boiling Point301.4±30.0 °C at 760 mmHg

别名和识别编码

Chemical Name2-Iodo-1-methyl-3-nitrobenzene
CAS Number6277-17-4
Alfabeta NameIODOMETHYLNITROBENZENE 213-----
MDL NumberMFCD00091040
Synonym 2-Iodo-1-methyl-3-nitrobenzene {LY} 2-Iodo-1-methyl-3-nitrobenzene {} {LY} 2-Iodo-1-methyl-3-nitrobenzene {} {} {LY} 2-Iodo-1-methyl-3-nitrobenzene {} {} {} {LY} 2-Iodo-1-methyl-3-nitrobenzene {} {} {} {} {LY} 2-Iodo-1-methyl-3-nitrobenzene {} {} {} {} {} {LY} 2-Iodo-1-methyl-3-nitrobenzene {} {} {} {} {} {} {LY} 2-Iodo-1-methyl-3-nitrobenzene {} {} {} {} {} {} {} {LY} 2-Iodo-1-methyl-3-nitrobenzene {} {} {} {} {} {} {} {} {LY} 2-Iodo-1-methyl-3-nitrobenzene {} {} {} {} {} {} {} {} {} {LY} 2-Iodo-1-methyl-3-nitrobenzene {} {} {} {} {} {} {} {} {} {} {LY} 2-Iodo-1-methyl-3-nitrobenzene {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Iodo-1-methyl-3-nitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Iodo-1-methyl-3-nitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Iodo-1-methyl-3-nitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Iodo-1-methyl-3-nitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2
Reaxys-RN2691415
Beilstein Registry Number5(4)863
PubChem Substance ID234781
Chemical Name Translation2-碘-3-硝基甲苯
LabNetwork Molecule IDLN00152635
InChIInChI=1S/C7H6INO2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,1H3
Canonical SMILESO=[N+](C1=C(I)C(C)=CC=C1)[O-]
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分类

  • {KO} Nitros
  • {SNA} Building Blocks, Chemical Synthesis, Nitro Compounds, Nitrogen Compounds, Organic Building Blocks
  • {KO} ReacIodides

安全信息

Warnings IRRITANT
Hazard Codes Xn
GHS Symbol
WGK Germany3
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
Signal word Warning
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
Precautionary statements
  • 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。
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
2
Rotatable Bonds
0
H-bond Donors
0
LogP
3

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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