4',5'-Dichlorofluorescein
Basic information
- CAS
2320-96-9- Standard SMILES
O=C1OC2(c3ccccc31)c1ccc(O)c(Cl)c1Oc1c2ccc(O)c1Cl- InChIKey
WLHLYHWMNUCWEV-UHFFFAOYSA-N- Molecular formula
- C20H10Cl2O5
- Average molar mass
- 401.2 g/mol
- Monoisotopic mass
- 399.9905288
Names & identifiers
- Preferred name
- 4',5'-Dichlorofluorescein
- IUPAC
- 4',5'-dichloro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
- English name
- 4',5'-dichloro-3',6'-dihydroxyspiro[isobenzofuran-1[3H]-9'-[9H]-xanthene]-3-one
- Molecular formula
- C20H10Cl2O5
- Molecular weight
- 401.2
Names & synonyms
4',5'-DichlorofluoresceinI54YMI55VYEINECS 219-030-2DTXSID20623274',5'-DICHLOROFLUORESCEIN [MI]Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 4',5'-dichloro-3',6'-dihydroxy-Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4',5'-dichloro-3',6'-dihydroxy-RefChem:505866DTXCID70368282320-96-94',5'-dichloro-3',6'-dihydroxyspiro[isobenzofuran-1[3h]-9'-[9h]-xanthene]-3-one4/'.5/'-Dichlorofluorescein
Show more names
5-Dichlorofluorescein4',5'-dichloro-3',6'-dihydroxyspiro[isobenzofuran-1[3H]-9'-[...4',5'-dichloro-3',6'-dihydroxy-spiro[isobenzofuran-3,9'-xanthene]-1-one4',5'-Dichloro-3',6'-dihydroxy-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one4',5'-Dichloro-3',6'-dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one4',5'-Dichlorofluorescein,4',5'-Dichloro-3',6'-dihydroxyspiro[isobenzefuran-1(3H),9'- (9H)xanthen]-3-one,4,5-Dichloro-3,6-fluorandiol,D&COrangeno.8
4',5'-dichloro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one4,5-Dichlorofluorescein4',5'-Dichloro-3',6'-dihydroxyspiro(isobenzofuran-1(3H)-9'-(9H)-xanthene)-3-one4,5-DichlorfluoresceinUNII-I54YMI55VYSCHEMBL498536orb2564276SCHEMBL29740272
Database identifiers
- CAS
2320-96-9- PubChem CID
- 75349
- DTXSID
DTXSID2062327- ChEMBL
CHEMBL1908059- UNII
- I54YMI55VY
- EC Number
- 219-030-2
- Nikkaji
- J213.191I
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 585
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 633.9 · 633.9±55.0 °C(Predicted)
- Density
- 1.75 · 1.75±0.1 g/cm3(Predicted)
- pka
- 8.1 · 8.10±0.20(Predicted)
- FDA UNII
- 54 YMI55VY · I54YMI55VY
- EPA Substance Registry System
- -1 · Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4',5'-dichloro-3',6'-dihydroxy- (2320-96-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4',5'-dichloro-3',6'-dihydroxy-: INACTIVE
Applications
UsesUsed as an adsorption indicator in argentometric determination of halogens.
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Compound notes
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