5,6-Dichloro-1H-benzimidazole 5,6-二氯苯并咪唑

CAS 6478-73-5 MFCD00211325

化学结构图

6478-73-5
SMILES: Clc1cc2nc[nH]c2cc1Cl

化学属性

Mol. FormulaC7H4Cl2N2
Mol. Weight187.03
Melting Point206-208°C
Boiling Point426.9±25.0°C at 760 mmHg

别名和识别编码

Chemical Name5,6-Dichloro-1H-Benzimidazole
CAS Number6478-73-5
Alfabeta NameDICHLOROBENZIMIDAZOLE H56113----,,
MDL NumberMFCD00211325
Chemical Name Translation5,6-二氯苯并咪唑
InChIKeyIPRDZAMUYMOJTA-UHFFFAOYSA-N
Beilstein Registry Number128613
Reaxys-RN128613
PubChem Substance ID331775
InChIInChI=1S/C7H4Cl2N2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-3H,(H,10,11)
LabNetwork Molecule IDLN00147156
Synonym 5,6-Dichloro-1H-benzo[d]imidazole {LY} 5,6-Dichloro-1H-benzo[d]imidazole 5,6-dichloro-1--beta-D-benzimidazole 5,6-dichlorobenzimidazole {} {LY} 5,6-Dichloro-1H-benzo[d]imidazole {} {} {LY} 5,6-Dichloro-1H-benzo[d]imidazole {} {} {} {LY} 5,6-Dichloro-1H-benzo[d]imidazole {} {} {} {} {LY} 5,6-Dichloro-1H-benzo[d]imidazole {} {} {} {} {} {LY} 5,6-Dichloro-1H-benzo[d]imidazole {} {} {} {} {} {} {LY} 5,6-Dichloro-1H-benzo[d]imidazole {} {} {} {} {} {} {} {LY} 5,6-Dichloro-1H-benzo[d]imidazole {} {} {} {} {} {} {} {} {LY} 5,6-Dichloro-1H-benzo[d]imidazole {} {} {} {} {} {} {} {} {} {LY} 5,6-Dichloro-1H-benzo[d]imidazole {} {} {} {} {} {} {} {} {} {} {LY} 5,6-Dichloro-1H-benzo[d]imidazole {} {} {} {} {} {} {} {} {} {} {} {LY} 5,6-Dichloro-1H-benzo[d]imidazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5,6-Dichloro-1H-benzo[d]imidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5,6-Dichloro-1H-benzo[d]imidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {
Canonical SMILESClC1=C(Cl)C=C2C(NC=N2)=C1
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分类

  • {KO} AminesSecondaryHeteroNH

安全信息

Warnings IRRITANT
GHS Symbol
Signal word Warning
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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
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
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • 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。
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
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
1
H-bond Acceptors
1
Rotatable Bonds
0
LogP
1

系列性分类

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