Fluorescein Chloride [Reagent for Amines] - ≥95%(HPLC) , CAS No.630-88-6

CAS: 630-88-6 Cat. No.: F156645 Molecular Weight: 369.2 EC Number: 211-147-7

GRADE & PURITY ≥95%(HPLC)

Synonyms

DTXSID7060889 | Fluorescein dichloride | 3',6'-dichloro-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one | 3',6'-Dichlorospiro(phthalide-3,9'-xanthene) | 3',6'-Dichlorofluoran | SCHEMBL1207502 | UNII-2G5JV2XD4H | Fluoran, 3',6'-dichloro- | Spiro[isobenzofuran-1

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID7060889 | Fluorescein dichloride | 3', 6'-dichloro-3H-spiro[isobenzofuran-1, 9'-xanthen]-3-one | 3', 6'-Dichlorospiro(phthalide-3, 9'-xanthene) | 3', 6'-Dichlorofluoran | SCHEMBL1207502 | UNII-2G5JV2XD4H | Fluoran, 3', 6'-dichloro- | Spiro[isobenzofuran-1

Specifications & Purity

≥95%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥95%(HPLC)

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)Cl)OC5=C3C=CC(=C5)Cl
• IUPAC Name: 3',6'-dichlorospiro[2-benzofuran-3,9'-xanthene]-1-one
• InChIKey: LNBKJWCRFAZVLK-UHFFFAOYSA-N
• INCHI: 1S/C20H10Cl2O3/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10H
• Isomeric SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)Cl)OC5=C3C=CC(=C5)Cl
• Molecular Weight: 369.2
• Reaxy-Rn: 45428
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=45428&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans
• Direct Parent: Xanthenes
• Alternative Parents: Diarylethers Phthalides Benzofuranones Isobenzofurans Benzenoids Aryl chlorides Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - Diaryl ether - Isobenzofuranone - Benzofuranone - Phthalide - Isocoumaran - Isobenzofuran - Aryl chloride - Aryl halide - Benzenoid - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organic oxide - Organochloride - Hydrocarbon derivative - Organohalogen 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 369.200 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 368.001 Da
• Monoisotopic Mass: 368.001 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 527.000
• 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: 1