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CAS Number: 58083-55-9
6-methylisoindolin-1-one

Structure

6-methylisoindolin-1-one
Name: 6-methylisoindolin-1-one
Synonyms:
General Information
Product Number: 58083559

CAS Registry Number 58083-55-9
Name:
1H-​Isoindol-​1-​one, 2,​3-​dihydro-​6-​methyl-
6-Methyl-1-isoindolinone
6-Methyl-2,3-dihydroisoindol-1-one
6-Methylphthalimidine

 

Chemical Formula: C9H9NO
Exact Mass: 147.07
Molecular Weight: 147.17
m/z: 147.07 (100.0%), 148.07 (10.2%)

 

InChI:InChI=1S/C9H9NO/c1-6-2-3-7-5-10-9(11)8(7)4-6/h2-4H,5H2,1H3,(H,10,11)

InChI Key:HFFIGYBPDNKEMJ-UHFFFAOYSA-N

Canonical SMILES:CC1=CC2=C(CNC2=O)C=C1

 

Thermal Properties Value Condition Note
Melting Point 211-213 °C Solv: ethyl acetate (141-78-6) (1)CAS
Melting Point 205 °C   (3)CAS
Melting Point 203-205 °C Solv: benzene (71-43-2) (4)IC

Specification

98%

References
  1. (1) Smith, Keith; Beilstein Journal of Organic Chemistry 2011, V7, P1219-1227, No. 142 CAPLUS
  2. (3) de Diesbach, Henri; Helvetica Chimica Acta 1940, V23, P1232-52 CAPLUS
  3. (4) Anderson, Paul S.; Journal of Organic Chemistry 1979, V44(9), P1519-33 CAPLUS
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