1-(4-Chlorophenyl)-1H-Pyrrole-2,5-Dione 1-(4-氯苯基)-1H-吡咯-2,5-二酮

CAS 1631-29-4 MFCD00022574

化学结构图

1631-29-4
SMILES: O=C1C=CC(=O)N1c1ccc(Cl)cc1

化学属性

Mol. FormulaC10H6ClNO2
Mol. Weight207.61
Melting Point115-120 °C
Boiling Point350.6±25.0 °C at 760 mmHg

别名和识别编码

Chemical Name1-(4-Chlorophenyl)-1H-Pyrrole-2,5-Dione
CAS Number1631-29-4
Alfabeta NameCHLOROPHENYLPYRROLEDIONE H14125()------,
MDL NumberMFCD00022574
Chemical Name Translation1-(4-氯苯基)-1H-吡咯-2,5-二酮
InChIKeyFPZQYYXSOJSITC-UHFFFAOYSA-N
Wiswesser Line NotationT5VNVJ BR DG
Synonym 1-(4-Chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione {LY} 1-(4-Chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione {} {LY} 1-(4-Chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione {} {} {LY} 1-(4-Chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione {} {} {} {LY} 1-(4-Chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione {} {} {} {} {LY} 1-(4-Chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione {} {} {} {} {} {LY} 1-(4-Chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione {} {} {} {} {} {} {LY} 1-(4-Chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione {} {} {} {} {} {} {} {LY} 1-(4-Chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione {} {} {} {} {} {} {} {} {LY} 1-(4-Chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione {} {} {} {} {} {} {} {} {} {LY} 1-(4-Chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione {} {} {} {} {} {} {} {} {} {} {LY} 1-(4-Chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(4-Chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(4-
Beilstein Registry Number0139337
LabNetwork Molecule IDLN00148931
PubChem Substance ID15400
InChIInChI=1S/C10H6ClNO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H
Canonical SMILESC1=C(C=CC(=C1)N2C(=O)C=CC2=O)Cl
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分类

  • {KO} Misc

安全信息

Warnings IRRITANT
RTECSON5075000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 440 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 40(11),109,1975

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 350 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   SCCUR* Shell Chemical Company.  Unpublished Report.  (2401 Crow Canyon Rd.,
   San Romon, CA 94583)  Volume(issue)/page/year: -,7,1961

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 290 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   SCCUR* Shell Chemical Company.  Unpublished Report.  (2401 Crow Canyon Rd.,
   San Romon, CA 94583)  Volume(issue)/page/year: -,7,1961

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
2
Rotatable Bonds
1
H-bond Donors
0
LogP
1

系列性分类

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