2',7'-Dichloro-3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-ar-carboxylic acid
Basic information
- CAS
111843-78-8- Standard SMILES
O=C(O)c1ccc2c(c1)C(=O)OC21c2cc(Cl)c(O)cc2Oc2cc(O)c(Cl)cc21- InChIKey
JGZVUTYDEVUNMK-UHFFFAOYSA-N- Molecular formula
- C21H10Cl2O7
- Average molar mass
- 445.2 g/mol
- Monoisotopic mass
- 443.980358
Overview
5-carboxy-2',7'-dichlorofluorescein is an oxaspiro compound.
Names & identifiers
- Preferred name
- 2',7'-Dichloro-3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-ar-carboxylic acid
- IUPAC
- 2',7'-dichloro-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
- English name
- 5'-carboxyl-2',7'-dichlorodihydrofluorescein
- Molecular formula
- C21H10Cl2O7
- Molecular weight
- 445.21
Names & synonyms
ClCFCDCF5'(6)-Carboxy-2'7'-dichlorofluoresceinCDF fluorescein2',7'-Dichloro-3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-ar-carboxylic acid2',7'-Dichloro-3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-ar-carboxylic AcidRefChem:527538CHEBI:51619DTXCID3018368355-(and 6)-carboxy-2',7'-dichlorofluoroescein635-152-2111843-78-8
Show more names
5-Carboxy-DCF5-carboxy-2'7'-dichlorodihydrofluorescein2',7'-Dichloro-3',6'-dihydroxy-3-oxo-3H-spiro-[isobenzofuran-1,9'-xanthene]-5-carboxylic acidSpiro[isobenzofuran-1(3H),9'-[9H]xanthene]-5-carboxylic acid, 2',7'-dichloro-3',6'-dihydroxy-3-oxo-2',7'-Dichloro-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid 2',7'-Dichloro-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
5(6)-Carboxy-2',7'-dichlorofluoresceinDTXSID20920579142975-81-35-Carboxy-2',7'-dichlorofluorescein2',7'-Dichloro-3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid2',7'-dichloro-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid5'-Carboxyl-2',7'-dichlorodihydrofluorescein5/'-carboxyl-2/',7/'-dichlorodihydrofluorescein
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 702
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- Insoluble in water, soluble in N,Ndimethylformamide, dimethyl sulfoxide, methanol
- pka
- 4.8 · 4.8(at 22℃)
- color
- Orange solid
- λmax
- 495 nm · 495nm (Buffer pH4.0); 504nm (Buffer pH8.0)
- Major Application
- Fiber optic sensor for sol–gel material; planar laser-induced fluorescence (PLIF) measurements in aqueous flows
- Biological Applications
- -2 · Assessing reactive oxygen species (ROS) generation in isolated-perfused rat heart tissue;detecting nucleic acids; detecting/ quantifying bacteria; evaluating multimeric complexes;monitoring blood gas; monitoring/ measuring analytes concentration; multidrug resistance-associated protein-2 (MRP2, ABCC2) substrates; multidrug resistance-associated protein-5 (MRP5, ABCC5) substrates; screening mitochondrial permeabilitytransition;studyinghepaticdisposition; a substrate for measuring aryl sulfatase activity, acid phosphatase activity, β-galactosidase activity, lipase activity
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Additional notes
DefinitionChEBI: 5-carboxy-2',7'-dichlorofluorescein is an oxaspiro compound.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…