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CAS Number: 40570-74-9
1-(isoquinolin-4-yl)ethanone

Structure

 1-(isoquinolin-4-yl)ethanone
Name: 1-(isoquinolin-4-yl)ethanone
Synonyms:
General Information
Product Number: 40570749

CAS Registry Number 40570-74-9
Name:
Ethanone, 1-​(4-​isoquinolinyl)​-
Ketone, 4-isoquinolyl methyl (7CI)
4-Acetylisoquinoline

 

Chemical Formula: C11H9NO
Exact Mass: 171.07
Molecular Weight: 171.20
m/z: 171.07 (100.0%), 172.07 (12.4%)

 

InChI:InChI=1S/C11H9NO/c1-8(13)11-7-12-6-9-4-2-3-5-10(9)11/h2-7H,1H3

InChI Key:XLJRDBSCZSXFNM-UHFFFAOYSA-N

Canonical SMILES:CC(=O)C1=CN=CC2=CC=CC=C21

 

Thermal Properties Value Condition Note
Boiling Point 179 °C Press: 22 Torr (1)CAS
Melting Point 72-74 °C   (1)CAS
Melting Point 70-71 °C   (2)CAS
Melting Point See full text   (3)IC

Specification

98%
References
  1. (1) Koelsch, C. F.; Journal of Organic Chemistry 1945, V10, P34-41 CAPLUS
  2. (2) Padbury, John J.; Journal of the American Chemical Society 1945, V67, P1268-70 CAPLUS
  3. (3) Baradarani, M. Mehdi; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1985, (7), P1503-8 CAPLUS
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