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CAS Number: 56341-31-2
2-bromo-9H-xanthen-9-one

Structure

2-bromo-9H-xanthen-9-one
Name: 2-bromo-9H-xanthen-9-one
Synonyms:
General Information
Product Number: 56341312

CAS Registry Number 56341-31-2
Name:
9H-​Xanthen-​9-​one, 2-​bromo-
Xanthone, 2-bromo- (2CI)
2-Bromo-9H-xanthen-9-one
2-Bromoxanthone

 

Chemical Formula: C13H7BrO2
Exact Mass: 273.96
Molecular Weight: 275.10
m/z: 273.96 (100.0%), 275.96 (97.3%), 274.97 (14.2%), 276.96 (13.7%), 275.97 (1.3%), 277.97 (1.3%)

 

InChI:InChI=1S/C13H7BrO2/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H

InChI Key:DYQUGFRRGGOYCA-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)Br

 

Thermal Properties Value Condition Note
Melting Point 176 °C   (3)CAS
Melting Point 150 °C Solv: ethanol (64-17-5); water (7732-18-5) (6)CAS
Melting Point 149.3-150.5 °C   (4)CAS

Specification

98%

References
  1. (3) Gardikis, Yiannis; Heterocycles 2011, V83(5), P1077-1091 CAPLUS
  2. (4) ter Wiel, Matthijs K. J.; Tetrahedron 2009, V65(22), P4332-4339 CAPLUS
  3. (6) Dhar, Surendra Nath; Journal of the Chemical Society, Transactions 1920, V117, P1053-70 CAPLUS
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