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CAS Number: 480-91-1
isoindolin-1-one

Structure

isoindolin-1-one
Name: isoindolin-1-one
Synonyms:
General Information
Product Number: 480911

CAS Registry Number 480-91-1
Name:
1H-​Isoindol-​1-​one, 2,​3-​dihydro-
Phthalimidine (6CI,7CI,8CI)
1,3-Dihydroisoindol-1-one
1-Isoindolinone
1-Oxodihydroisoindole
1-Oxoisoindoline

 

Chemical Formula: C8H7NO
Exact Mass: 133.05
Molecular Weight: 133.15
m/z: 133.05 (100.0%), 134.06 (8.8%)
Elemental Analysis: C, 72.16; H, 5.30; N, 10.52; O, 12.02

 

InChI:InChI=1S/C8H7NO/c10-8-7-4-2-1-3-6(7)5-9-8/h1-4H,5H2,(H,9,10)

InChI Key:PXZQEOJJUGGUIB-UHFFFAOYSA-N

Canonical SMILES:C1C2=CC=CC=C2C(=O)N1

 

Thermal Properties Value Condition Note
Boiling Point 338 °C   (1)SRC
Melting Point 155-156 °C   (11)IC
Melting Point 153.5-154 °C   (13)IC
Melting Point 153-154 °C Solv: ethyl acetate (141-78-6) (3)CAS
Melting Point 151 °C   (1)SRC
Melting Point 150-152 °C   (12)IC

Specification

98%

References
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