6-Methoxyisoindolin-1-one

Base Information

• Chemical Name: 6-Methoxyisoindolin-1-one
• CAS No.: 132680-54-7
• Molecular Formula: C₉H₉NO₂
• Molecular Weight: 163.176
• Hs Code.: 2933790090
• European Community (EC) Number: 674-987-7
• ChEMBL ID: CHEMBL4574905
• DSSTox Substance ID: DTXSID50554124
• Nikkaji Number: J725.054A
• Wikidata: Q82434972
• Mol file: 132680-54-7.mol

Synonyms:6-methoxyisoindolin-1-one;132680-54-7;6-Methoxyisoindolinone;6-methoxy-2,3-dihydro-isoindol-1-one;6-METHOXY-2,3-DIHYDROISOINDOL-1-ONE;1H-Isoindol-1-one, 2,3-dihydro-6-methoxy-;6-methoxy-2,3-dihydro-1H-isoindol-1-one;2,3-Dihydro-6-methoxy-1H-isoindol-1-one;MFCD08234735;6-Methoxy-2,3-dihydroisoindol-1-one;6-Methoxyisoindolin-1-one;6-Methoxy-1-isoindolinone;SCHEMBL2849831;CHEMBL4574905;DTXSID50554124;JHEFFTKSFOORGS-UHFFFAOYSA-N;AKOS006285500;6-methoxyisoindolin-1-one, AldrichCPR;CS-W009154;FS-2152;SY056693;1H-Isoindol-1-one,2,3-dihydro-6-methoxy-;A4779;AM20020398;EN300-175419;J-517702;Q-102105;Z1198176505

Chemical Property of 6-Methoxyisoindolin-1-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 189-190 °C(Solv: ethyl acetate (141-78-6))
• Refractive Index: 1.565
• Boiling Point: 428.012 °C at 760 mmHg
• PKA: 14.37±0.20(Predicted)
• Flash Point: 212.654 °C
• PSA: 38.33000
• Density: 1.208 g/cm³
• LogP: 1.26740
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

98%min ^*data from raw suppliers

6-Methoxyisoindole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC2=C(CNC2=O)C=C1
• Uses: 6-Methoxyisoindole is a reagent used in the synthesis of novel isoindolinone derivatives used for anti-tumor activity. Also used in the preparation and optimization of 2-aminothiazole 4-carboxamides as new CHK1 inhibitors.