Rhodamine B base - Dye content 97 % , CAS No.509-34-2

CAS: 509-34-2 Cat. No.: R334821 Molecular Weight: 442.55 EC Number: 208-096-8 PubChem CID: 62357

GRADE & PURITY Dye content 97 %

Synonyms

9-(2-CARBOXYPHENYL)-3,6-BIS(DIETHYLAMINO)-9-HYDROXY-9H-XANTHENELACTONE | Q27282328 | Tox21_303794 | 3,6-BIS(DIETHYLAMINO)SPIRO(9H-XANTHENE-9,1'(3'H)-ISOBENZOFURAN)-3'-ONE | NSC43944 | NSC-43944 | W-109545 | 3',6'-bis(Diethylamino)spiro[isobenzofuran-1(3H)

Storage

Room temperature

Shipped In

Normal

Overview

Rhodamine B base is used as a biological staining dye. Rhodamine B base is also used as a laser dye, tunable around 610 nm with the fluorescence yield being temperature dependent.

Specifications

Synonyms

9-(2-CARBOXYPHENYL)-3, 6-BIS(DIETHYLAMINO)-9-HYDROXY-9H-XANTHENELACTONE | Q27282328 | Tox21_303794 | 3, 6-BIS(DIETHYLAMINO)SPIRO(9H-XANTHENE-9, 1'(3'H)-ISOBENZOFURAN)-3'-ONE | NSC43944 | NSC-43944 | W-109545 | 3', 6'-bis(Diethylamino)spiro[isobenzofuran-1(3H)

Specifications & Purity

Dye content 97 %

Biochemical and Physiological Mechanisms

Rhodamine B alkaline has been used as an experimental marker to determine the mating of B. thuringiensis-resistant females with B. thuringiensis-resistant and B. thuringiensis-susceptible males in an alternating order.

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 504753835
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753835
• Canonical Smiles: CCN(CC)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(CC)CC)C5=CC=CC=C5C(=O)O3
• IUPAC Name: 3',6'-bis(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
• InChIKey: DZNJMLVCIZGWSC-UHFFFAOYSA-N
• INCHI: 1S/C28H30N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)32-26-18-20(30(7-3)8-4)14-16-24(26)28(23)22-12-10-9-11-21(22)27(31)33-28/h9-18H,5-8H2,1-4H3
• Isomeric SMILES: CCN(CC)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(CC)CC)C5=CC=CC=C5C(=O)O3
• WGK Germany: 3
• PubChem CID: 62357
• Molecular Weight: 442.55

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 Dialkylarylamines Benzenoids Lactones Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - Diaryl ether - Benzofuranone - Phthalide - Isobenzofuranone - Isocoumaran - Isobenzofuran - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Benzenoid - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Lactone - Oxacycle - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen 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

• Solubility: Soluble in ethanol (1 mg/ml), methanol, chloroform, and DMF. Insoluble in water.
• Refractive Index: n20D1.65 (Predicted)
• Boil Point(°C): 637.16° C at 760 mmHg (Predicted)
• Melt Point(°C): 248.14° C (Predicted)
• Molecular Weight: 442.500 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 442.226 Da
• Monoisotopic Mass: 442.226 Da
• Topological Polar Surface Area: 42.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 655.000
• 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

References

1. Hajra Zafar, Jun Zhang, Faisal Raza, Xiuhua Pan, Zongwei Hu, Hanxiao Feng, Qi Shen.  (2024)  Biomimetic gold nanocages incorporating copper-human serum albumin for tumor immunotherapy via cuproptosis-lactate regulation.  JOURNAL OF CONTROLLED RELEASE,      [PMID:38917953] [10.1016/j.jconrel.2024.06.059]