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Fluorescein isothiocyanate I hydrochloride - 90%, high purity , CAS No.63469-13-6
Basic Description
Synonyms
3',6'-dihydroxy-5-isothiocyanato-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one hydrochloride | EINECS 264-260-9 | Fluorescein isothiocyanate (FITC) hydrochloride | fluorescein isothiocyanate hydrochloride
Specifications & Purity
≥95%
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Dibenzopyrans
Direct Parent
Xanthenes
Alternative Parents
Diarylethers Phthalides Benzofuranones Isobenzofurans 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid esters Lactones Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Hydrochlorides Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthene - Diaryl ether - Benzofuranone - Phthalide - Isobenzofuranone - Isocoumaran - Isobenzofuran - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Carboxylic acid ester - Isothiocyanate - Lactone - Oxacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Organic oxygen compound - Hydrochloride - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Product Properties
Excitation and Emision Ranges
λex 492 nm, λem 518 nm(green); λex 495 nm, λem 525 nm
Names and Identifiers
IUPAC Name
3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one;hydrochloride
INCHI
InChI=1S/C21H11NO5S.ClH/c23-12-2-5-16-18(8-12)26-19-9-13(24)3-6-17(19)21(16)15-4-1-11(22-10-28)7-14(15)20(25)27-21;/h1-9,23-24H;1H
InChIKey
VEOKINNSACYXAM-UHFFFAOYSA-N
Smiles
C1=CC2=C(C=C1N=C=S)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O.Cl
Isomeric SMILES
C1=CC2=C(C=C1N=C=S)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O.Cl
PubChem CID
113298
Molecular Weight
425.84
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
n20D1.75 (Predicted)
Molecular Weight
425.800 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
1
Exact Mass
425.012 Da
Monoisotopic Mass
425.012 Da
Topological Polar Surface Area
120.000 Ų
Heavy Atom Count
29
Formal Charge
0
Complexity
668.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
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G2429612