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CAS Number: 19063-55-9
6-bromo-2H-chromen-2-one

Structure

6-bromo-2H-chromen-2-one
Name: 6-bromo-2H-chromen-2-one
Synonyms:
General Information
Product Number: 19063559

CAS Registry Number 19063-55-9
Name:
2H-?1-?Benzopyran-?2-?one, 6-?bromo-
Coumarin, 6-bromo- (6CI,7CI,8CI)
6-Bromo-2H-1-benzopyran-2-one
6-Bromochromene-2-one
6-Bromocoumarin
NSC 146624

 

Chemical Formula: C9H5BrO2
Exact Mass: 223.95
Molecular Weight: 225.04
m/z: 223.95 (100.0%), 225.95 (98.1%), 224.95 (9.9%), 226.95 (9.6%)

 

InChI:InChI=1S/C9H5BrO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H

InChI Key:XXRJDOQENVGLJT-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=CC(=O)O2)C=C1Br

 

Thermal Properties Value Condition Note
Melting Point 215 °C   (11)CAS
Melting Point 164 °C   (12)CAS
Melting Point 162-165 °C   (8)CAS
Melting Point 161-163 °C Solv: methanol (67-56-1) (13)IC
Melting Point 160-163 °C Solv: dichloromethane (75-09-2); hexane (110-54-3) (14)CAS
Melting Point 159-162 °C   (6)CAS
Melting Point 157-159 °C   (4)CAS
Melting Point See full text   (9)CAS

Specification

98%

References
  1. (4) Schmidt, Bernd; Chemical Communications (Cambridge, United Kingdom) 2011, V47(20), P5879-5881 CAPLUS
  2. (6) Valizadeh, Hassan; Synthetic Communications 2009, V39(9), P1666-1678 CAPLUS
  3. (8) Valizadeh, Hassan; Heterocyclic Communications 2010, V16(2-3), P113-120 CAPLUS
  4. (9) Valizadeh, H.; Journal of Chemical Research, Synopses 2003, (11), P718-720 CAPLUS
  5. (11) Bhukta, M. J.; Journal of the Indian Chemical Society 1965, V42(7), P454-6 CAPLUS
  6. (12) Pandya, Kantilal C.; Proceedings - Indian Academy of Sciences, Section A 1943, V18A, P164-70 CAPLUS
  7. (13) Oda, Noriichi; Chemical & Pharmaceutical Bulletin 1987, V35(5), P1796-802 CAPLUS
  8. (14) Oyamada, Juzo; Tetrahedron 2006, V62(29), P6918-6925 CAPLUS
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