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CHEBI:86277 - 2',4',5',7'-tetrabromofluorescein

ChEBI IDCHEBI:86277
ChEBI Name2',4',5',7'-tetrabromofluorescein
Stars
DefinitionA xanthene dye that is fluorescein bearing bromine substituents at positions 2', 4', 5' and 7'.
Last Modified1 July 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H8Br4O5
Net Charge0
Average Mass647.895
Monoisotopic Mass643.71052
SMILESO=C(O)c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c(O)c(Br)cc12
InChIInChI=1S/C20H8Br4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,25H,(H,27,28)
InChIKeyAZXGXVQWEUFULR-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
dye 
ChEBI Ontology
Outgoing Relation(s)
2',4',5',7'-tetrabromofluorescein (CHEBI:86277) is a monocarboxylic acid (CHEBI:25384)
2',4',5',7'-tetrabromofluorescein (CHEBI:86277) is a organobromine compound (CHEBI:37141)
2',4',5',7'-tetrabromofluorescein (CHEBI:86277) is a xanthene dye (CHEBI:37929)
2',4',5',7'-tetrabromofluorescein (CHEBI:86277) is conjugate acid of 2',4',5',7'-tetrabromofluorescein(2−) (CHEBI:52836)
Incoming Relation(s)
2',4',5',7'-tetrabromofluorescein(2−) (CHEBI:52836) is conjugate base of 2',4',5',7'-tetrabromofluorescein (CHEBI:86277)
IUPAC Name 
2-(2,4,5,7-tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
Synonyms  Source
C.I. 45380:2ChemIDplus
Japan Red 223ChemIDplus
Red 21ChemIDplus
D & C Red No. 21ChemIDplus
Registry NumbersSources
Reaxys:1301597Reaxys
CAS:152-75-0ChemIDplus
Citations