Rose bengal - ≥95% , CAS No.632-69-9

CAS: 632-69-9 Cat. No.: R104993 Formula: C₂₀H₂Cl₄I₄Na₂O₅ Molecular Weight: 1017.64 Beilstein Registry Number: 3645857 EC Number: 211-183-3 PubChem CID: 69438

GRADE & PURITY ≥95%

Synonyms

Acid Red 94 | R105 sodium | Food Red No. 105, sodium salt | Rose Bengal (sodium salt)(1:2) | PV 10 | Xantryl | Rose Bengal sodium salt | 4,5,6,7-Tetrachloro-2′,4′,5′,7′-tetraiodofluorescein disodium salt | Bengal Rose B sodium salt

Storage

Protected from light,Room temperature,Desiccated

Shipped In

Normal

Overview

Product Description：
Rose Bengal is a stain used in the eye drops to identify the eye damage. It finds application in the preparation of foraminifera for microscopic analysis, photosensitizing reactions and as a dye. In synthetic chemistry, it is utilized to convert triplet oxygen to singlet oxygen, which is used in [2+2] cycloadditions with alkenes. Its derivatives have important medical functions and used for the treatment of cancer. It acts as an alternative to phloxine B in Kreyberg's stain for keratin and mucus. As a fluorescent probe, it is used for the determination of NAD binding sites of alcohol dehydrogenase. Product Application：
Rose Bengal is a red or rose color dye and is anionic in nature. It is a 4,5,6,7-tetrachloro 2′,4′,5′,7′-tetraiodo derivative of fluorescein. It is widely used to detect damage to the ocular surface epithelium in ocular surface diseases such as dry eye and herpetic keratitis. Rose Bengal has mild antiviral potency.Rose Bengal is used to stain dead and degenerating cells and mucus.

Specifications

Synonyms

Acid Red 94 | R105 sodium | Food Red No. 105, sodium salt | Rose Bengal (sodium salt)(1:2) | PV 10 | Xantryl | Rose Bengal sodium salt | 4,5,6,7-Tetrachloro-2′,4′,5′,7′-tetraiodofluorescein disodium salt | Bengal Rose B sodium salt

Specifications & Purity

≥95%

Storage

Protected from light,Room temperature,Desiccated

Shipped In

Normal

Purity

≥95%

Names and Identifiers

Pubchem Sid

504754391

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754391

Canonical Smiles

C1=C2C(=C(C(=C1I)[O-])I)OC3=C(C(=C(C=C3C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)I)[O-])I.[Na+].[Na+]

IUPAC Name

disodium;4,5,6,7-tetrachloro-2',4',5',7'-tetraiodo-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate

InChIKey

KCQREHTWEUECQT-UHFFFAOYSA-L

INCHI

1S/C20H4Cl4I4O5.2Na/c21-9-7-8(10(22)12(24)11(9)23)20(33-19(7)31)3-1-5(25)15(29)13(27)17(3)32-18-4(20)2-6(26)16(30)14(18)28;;/h1-2,29-30H;;/q;2*+1/p-2

Isomeric SMILES

C1=C2C(=C(C(=C1I)[O-])I)OC3=C(C(=C(C=C3C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)I)[O-])I.[Na+].[Na+]

WGK Germany

3

RTECS

LM5920000

PubChem CID

69438

Molecular Weight

1017.64

Beilstein

3645857

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 Phenoxides Aryl chlorides Aryl iodides Vinylogous halides Carboxylic acid esters Lactones Oxacyclic compounds Organic metal halides Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic sodium salts Organic zwitterions Organic oxides Organoiodides Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - Diaryl ether - Isobenzofuranone - Benzofuranone - Phthalide - Isocoumaran - Isobenzofuran - Phenoxide - Aryl chloride - Aryl halide - Aryl iodide - Benzenoid - Vinylogous halide - Carboxylic acid ester - Lactone - Organic metal halide - Carboxylic acid derivative - Oxacycle - Organic alkali metal salt - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organoiodide - Organooxygen compound - Organic salt - Organic zwitterion - 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

• Solubility: Soluble in water.
• Sensitivity: Light sensitive.
• Melt Point(°C): >300℃
• Molecular Weight: 1017.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 1017.46 Da
• Monoisotopic Mass: 1015.46 Da
• Topological Polar Surface Area: 81.700 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 780.000
• 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: 3

XLogP3