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CAS Number: 49660-57-3
6-bromochroman-4-one

Structure

6-bromochroman-4-one
Name: 6-bromochroman-4-one
Synonyms:
General Information
Product Number: 49660573
CAS Number:
49660-57-3
Name:
4H-1-Benzopyran-4-one,6-bromo-2,3-dihydro-
Synonyms:
6-Bromo-4-chromanone;6-Brom-2,3-dihydro-4H-chromen-4-on;6-Bromo-3,4-Dihydro-2H-1-Benzopyran-4-One;6-Bromochroman-4-one;
Chemical Formula: C9H7BrO2
Exact Mass: 225.96
Molecular Weight: 227.05
m/z: 225.96 (100.0%), 227.96 (97.3%), 226.97 (9.9%), 228.96 (9.5%)
Elemental Analysis: C, 47.61; H, 3.11; Br, 35.19; O, 14.09
InChI: InChI=1S/C9H7BrO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2
InChIKey: PFLPVOXSUCCZDH-UHFFFAOYSA-N
Canonical SMILES : C1COC2=C(C1=O)C=C(C=C2)Br
 
Thermal Properties Value Condition Note
Melting Point 77 °C   (3)IC
Melting Point 76-79 °C   (4)CAS
Melting Point See full text   (1)CAS

Specification

98%

References
  1. (1) Patonay, Tamas; Australian Journal of Chemistry 2010, V63(11), P1582-1593 CAPLUS
  2. (2) He, Jinmei; Organic Letters 2006, V8(20), P4637-4640 CAPLUS
  3. (3) Reddy, M. S.; Organic Preparations and Procedures International 1989, V21(2), P221-3 CAPLUS
  4. (4) Wiley, Paul F.; Journal of the American Chemical Society 1951, V73, P4205-9 CAPLUS
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