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CAS Number: 3744-82-9
3,4-dihydrobenzo[cd]indol-5(1H)-one

Structure

3,4-dihydrobenzo[cd]indol-5(1H)-one
Name: 3,4-dihydrobenzo[cd]indol-5(1H)-one
Synonyms:
General Information
Product Number: 3744829

CAS Registry Number 3744-82-9
Name:
Benz[cd]?indol-?5(1H)?-?one, 3,?4-?dihydro-
3,4-Dihydrobenz[cd]indol-5(1H)-one
Uhle's ketone

 

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/c13-10-5-4-7-6-12-9-3-1-2-8(10)11(7)9/h1-3,6,12H,4-5H2

InChI Key:CAXVDGQDGNZJKF-UHFFFAOYSA-N

Canonical SMILES:C1CC(=O)C2=C3C1=CNC3=CC=C2

 

Thermal Properties Value Condition Note
Melting Point 165-166 °C   (2)CAS
Melting Point 165-166 °C Solv: ethanol (64-17-5) (3)IC
Melting Point 162-165 °C Solv: hexane (110-54-3); ethyl ether (60-29-7) (1)IC
Melting Point 162-164 °C   (4)CAS
Melting Point 160-165 °C   (5)IC

Specification

98%

References
  1. (1) Ninomiya, Ichiya; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1990, (3), P707-13 CAPLUS
  2. (2) Uhle, Frederick C.; Journal of the American Chemical Society 1949, V71, P761-6 CAPLUS
  3. (3) Plieninger, Hans; Chemische Berichte 1976, V109(6), P2121-5 CAPLUS
  4. (4) Grob, Cyril A.; US 2621186 1952 CAPLUS
  5. (5) Nagasaka, Tatsuo; Chemical & Pharmaceutical Bulletin 1977, V25(11), P3023-33 CAPLUS
  6. (6) Uhle, Frederick C.; Journal of the American Chemical Society 1960, V82, P1200-7 CAPLUS
  7. (7) Kornfeld, Edmund C.; Journal of the American Chemical Society 1956, V78, P3087-3114 CAPLUS
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