2,6-Dichloro-3-Nitrobenzonitrile 2,6-二氯-3-硝基苯甲腈

CAS 5866-98-8 MFCD00051513

化学结构图

5866-98-8
SMILES: N#Cc1c(Cl)ccc([N+](=O)[O-])c1Cl

化学属性

Mol. FormulaC7H2Cl2N2O2
Mol. Weight217.01
Melting Point106-109 °C
TSCANo
Boiling Point341.7±42.0 °C at 760 mmHg

别名和识别编码

Chemical Name2,6-Dichloro-3-Nitrobenzonitrile
CAS Number5866-98-8
Alfabeta NameDICHLORONITROBENZENECARBONITRILE 263---,
MDL NumberMFCD00051513
EC Number000-000-0
Beilstein Registry Number2113045
Synonym 2,6-Dichloro-3-nitrobenzonitrile {LY} 2,6-Dichloro-3-nitrobenzonitrile {} {LY} 2,6-Dichloro-3-nitrobenzonitrile {} {} {LY} 2,6-Dichloro-3-nitrobenzonitrile {} {} {} {LY} 2,6-Dichloro-3-nitrobenzonitrile {} {} {} {} {LY} 2,6-Dichloro-3-nitrobenzonitrile {} {} {} {} {} {LY} 2,6-Dichloro-3-nitrobenzonitrile {} {} {} {} {} {} {LY} 2,6-Dichloro-3-nitrobenzonitrile {} {} {} {} {} {} {} {LY} 2,6-Dichloro-3-nitrobenzonitrile {} {} {} {} {} {} {} {} {LY} 2,6-Dichloro-3-nitrobenzonitrile {} {} {} {} {} {} {} {} {} {LY} 2,6-Dichloro-3-nitrobenzonitrile {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dichloro-3-nitrobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dichloro-3-nitrobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dichloro-3-nitrobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dichloro-3-nitrobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dichloro-3-nitrobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dichl
Chemical Name Translation2,6-二氯-3-硝基苯甲腈
LabNetwork Molecule IDLN00148416
PubChem Substance ID4461932
InChIInChI=1S/C7H2Cl2N2O2/c8-5-1-2-6(11(12)13)7(9)4(5)3-10/h1-2H
Canonical SMILESN#CC1=C(C=CC([N+]([O-])=O)=C1Cl)Cl
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分类

  • {KO} Nitriles
  • {KO} Nitros
  • {KO} ReacChlorides

安全信息

Warnings IRRITANT
Safety Statements
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
  • 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；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Packing GroupIII
UN Number UN3439
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
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
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 Donors
0
H-bond Acceptors
3
Rotatable Bonds
0
LogP
2

系列性分类

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