Fluorescin
Basic information
- CAS
518-44-5- Standard SMILES
O=C(O)c1ccccc1C1c2ccc(O)cc2Oc2cc(O)ccc21- InChIKey
MURGITYSBWUQTI-UHFFFAOYSA-N- Molecular formula
- C20H14O5
- Average molar mass
- 334.3 g/mol
- Monoisotopic mass
- 334.08412354
Overview
Fluorescin is a member of xanthenes.
Names & identifiers
- Preferred name
- Fluorescin
- IUPAC
- 2-(3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid
- English name
- FLUORESCIN
- Molecular formula
- C20H14O5
- Molecular weight
- 334.32
Names & synonyms
Fluorescinresorcinolphthalin2-(3,6-dihydroxy-9H-xanthen-9-yl)benzoic acidLeucofluoresceinBenzoic acid, 2-(3,6-dihydroxy-9H-xanthen-9-yl)-2-(3,6-Dihydroxyxanthen-9-yl)benzoic acidUNII-ES5WQ31089ES5WQ31089FLUORESCIN [MI]EINECS 208-252-5DTXSID1075430CHEBI:42492
Show more names
dihydrofluoresceinFluorescin[ReagentforOxydasesandPeroxydases]>Benzoic acid, 2-(3,6-dihydroxy-9H-xanthen-9-yl)-2-(3,6-Dihydroxy-9H-xanthen-9-yl)benzoic acid, 95+%
RefChem:140902DTXCID40410742(3,6Dihydroxyxanthen9yl)benzoic acid2(3,6Dihydroxy9Hxanthen9yl)benzoic acidBenzoic acid, 2(3,6dihydroxy9Hxanthen9yl)518-44-5MFCD00046931Fluorescin [Reagent for Oxydases and Peroxydases]
Database identifiers
- CAS
518-44-5- PubChem CID
- 68205
- DTXSID
DTXSID1075430- ChEMBL
CHEMBL1232699- ChEBI
CHEBI:42492- UNII
- ES5WQ31089
- EC Number
- 208-252-5
- Nikkaji
- J6.585D
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 468
Experimental & physicochemical properties
Chemical ClassesDyes -> Other Dyes
DrugsPharmaceuticals -> Listed in ZINC15
Physical DescriptionBright yellow solid; [Merck Index]
Physicochemical properties
- Melting point
- 125 · 125-127°
- Boiling point
- 431.14 °C · 431.14°C (rough estimate)
- Density
- 1.2497 · 1.2497 (rough estimate)
- refractive index
- 1.5 · 1.5000 (estimate)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 3.88 · 3.88±0.36(Predicted)
- form
- powder to crystal
- color
- Light yellow to Brown
- Merck
- 14 · 14,4160
- FDA UNII
- 5 WQ31089 · ES5WQ31089
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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationBenzoic acid, 2-(3,6-dihydroxy-9H-xanthen-9-yl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummarySee Fluorescein.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29329990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
UsesUsed as a reagent for oxidases and peroxides; [Merck Index]
Applications
UsesReagent for oxidases, peroxides.
Additional notes
DefinitionChEBI: Fluorescin is a member of xanthenes.
Suppliers
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Related reactions
5 records
Compound notes
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