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CAS Number: 21617-20-9
6-chloro-2,3-dihydroquinolin-4(1H)-one

Structure

 6-chloro-2,3-dihydroquinolin-4(1H)-one
Name: 6-chloro-2,3-dihydroquinolin-4(1H)-one
Synonyms:
General Information
Product Number: 21617209

CAS Registry Number 21617-20-9
Name:
4(1H)?-?Quinolinone, 6-?chloro-?2,?3-?dihydro-
4(1H)-Quinolone, 6-chloro-2,3-dihydro- (7CI,8CI)
6-Chloro-2,3-dihydro-4(1H)-quinolone
6-Chloro-2,3-dihydroquinolin-4(1H)-one

 

Chemical Formula: C9H8ClNO
Exact Mass: 181.03
Molecular Weight: 181.62
m/z: 181.03 (100.0%), 183.03 (32.2%), 182.03 (10.1%), 184.03 (3.2%)

 

InChI:InChI=1S/C9H8ClNO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-2,5,11H,3-4H2

InChI Key:WOYMBVUWQFWVSA-UHFFFAOYSA-N

Canonical SMILES:C1CNC2=C(C1=O)C=C(C=C2)Cl

 

Thermal Properties Value Condition Note
Melting Point 198-199 °C   (3)IC
Melting Point 126.0-126.5 °C Solv: methanol (67-56-1); ethyl ether (60-29-7) (4)IC
Melting Point 125-126 °C   (5)CAS
Melting Point 125-126 °C   (2)CAS
Melting Point 112 °C   (6)CAS
Melting Point 78 °C   (1)CAS
Melting Point See full text   (7)CAS

Specification

98%
References
  1. (1) Layek, Mohosin; Organic & Biomolecular Chemistry 2011, V9(4), P1004-1007 CAPLUS
  2. (2) Lange, Jens; Australian Journal of Chemistry 2011, V64(4), P454-470 CAPLUS
  3. (3) Merchant, J. R.; Current Science 1979, V48(1), P13-15 CAPLUS
  4. (4) Kano, Shinzo; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1980, (10), P2105-11 CAPLUS
  5. (5) Hurd, Charles D.; Journal of the American Chemical Society 1954, V76, P5065-9 CAPLUS
  6. (6) Elderfield, Robert C.; Journal of the American Chemical Society 1949, V71, P1906-11 CAPLUS
  7. (7) Elderfield, Robert C.; US 2558211 1951 CAPLUS
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