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CHEBI:63236 - pacific blue

ChEBI IDCHEBI:63236
ChEBI Namepacific blue
Stars
DefinitionA hydroxycoumarin having the hydroxy group located at position 7 and bearing two fluoro substituents at positions 6 and 8 as well as a carboxy group at position 3. A fluorescent dye of excitation wavelength 403 nm and emission wavelength 455 nm.
Last Modified23 November 2011
SubmitterSteve
DownloadsMolfile
FormulaC10H4F2O5
Net Charge0
Average Mass242.133
Monoisotopic Mass242.00268
SMILESO=C(O)c1cc2cc(F)c(O)c(F)c2oc1=O
InChIInChI=1S/C10H4F2O5/c11-5-2-3-1-4(9(14)15)10(16)17-8(3)6(12)7(5)13/h1-2,13H,(H,14,15)
InChIKeyVYNDHICBIRRPFP-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
pacific blue (CHEBI:63236) has role fluorochrome (CHEBI:51217)
pacific blue (CHEBI:63236) is a hydroxycoumarin (CHEBI:37912)
pacific blue (CHEBI:63236) is a monocarboxylic acid (CHEBI:25384)
pacific blue (CHEBI:63236) is a organofluorine compound (CHEBI:37143)
Incoming Relation(s)
pacific blue succinimidyl ester (CHEBI:63240) has functional parent pacific blue (CHEBI:63236)
IUPAC Name 
6,8-difluoro-7-hydroxy-2-oxo-2H-chromene-3-carboxylic acid
Synonym  Source
6,8-difluoro-7-hydroxy-3-carboxycoumarinChEBI
Registry NumbersSources
Reaxys:8067623Reaxys
Citations