2-(1,3,4-Oxadiazol-2-yl)Phenol 2-(1,3,4-二唑-2-基)苯酚

CAS 1008-65-7 MFCD00020713

化学结构图

1008-65-7
SMILES: Oc1ccccc1-c1nnco1

化学属性

Mol. FormulaC8H6N2O2
Mol. Weight162.15
Melting Point100 °C
TSCANo
Boiling Point180 °C at 760 mmHg

别名和识别编码

Chemical Name2-(1,3,4-Oxadiazol-2-yl)Phenol
CAS Number1008-65-7
Alfabeta NameOXADIAZOLYLBENZENOL 21342()----,,
MDL NumberMFCD00020713
Chemical Name Translation2-(1,3,4-二唑-2-基)苯酚
Wiswesser Line NotationT5NN DOJ CR BQ
Synonym Fenadiazole {LY} Fenadiazole {} {LY} Fenadiazole {} {} {LY} Fenadiazole {} {} {} {LY} Fenadiazole {} {} {} {} {LY} Fenadiazole {} {} {} {} {} {LY} Fenadiazole {} {} {} {} {} {} {LY} Fenadiazole {} {} {} {} {} {} {} {LY} Fenadiazole {} {} {} {} {} {} {} {} {LY} Fenadiazole {} {} {} {} {} {} {} {} {} {LY} Fenadiazole {} {} {} {} {} {} {} {} {} {} {LY} Fenadiazole {} {} {} {} {} {} {} {} {} {} {} {LY} Fenadiazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} Fenadiazole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Fenadiazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Fenadiazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Fenadiazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Fenadiazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Fenadiazole
Beilstein Registry Number0136925
LabNetwork Molecule IDLN00144575
PubChem Substance ID13883
InChIInChI=1S/C8H6N2O2/c11-7-4-2-1-3-6(7)8-10-9-5-12-8/h1-5,11H
Canonical SMILESOC1=CC=CC=C1C2=NN=CO2
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分类

  • {KO} ArylOHs

安全信息

Warnings IRRITANT
RTECSSM5850000
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；
  • S37 Wear suitable gloves 戴适当手套；
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
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 940 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85KYAH "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals",
   11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989 Volume(issue)/page/year:
   11,620,1989

Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
1
H-bond Donors
1
LogP
1

系列性分类

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