Rhodamine 101 Inner Salt - for fluorescence analysis , CAS No.116450-56-7

CAS: 116450-56-7 Cat. No.: R591045 Molecular Weight: 490.59 EC Number: 634-696-8 PubChem CID: 2735129

GRADE & PURITY for Fluorescence analysis

Synonyms

1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium, 9-(2-carboxyphenyl)-2,3,6,7,12,13,16,17-octahydro-, inner salt

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Rhodamine 101 (Rh101) is a highly stable fluorophore in the rhodamine family.

Specifications

Synonyms

1H, 5H, 11H, 15H-Xantheno[2, 3, 4-ij:5, 6, 7-i'j']diquinolizin-18-ium, 9-(2-carboxyphenyl)-2, 3, 6, 7, 12, 13, 16, 17-octahydro-, inner salt

Specifications & Purity

for fluorescence analysis

Biochemical and Physiological Mechanisms

Rhodamine 101 (Rh101) is useful as a reference material to measure the fluorescence quantum yield.

Storage

Protected from light, Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

for Fluorescence analysis

Product Properties

• Excitation and Emision Ranges: λex 560 nm, λem 589 nm in methanol

Names and Identifiers

• Canonical Smiles: C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=CC=CC=C8C(=O)[O-])CCC7
• IUPAC Name: 2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoate
• InChIKey: MUSLHCJRTRQOSP-UHFFFAOYSA-N
• INCHI: InChI=1S/C32H30N2O3/c35-32(36)22-10-2-1-9-21(22)27-25-17-19-7-3-13-33-15-5-11-23(28(19)33)30(25)37-31-24-12-6-16-34-14-4-8-20(29(24)34)18-26(27)31/h1-2,9-10,17-18H,3-8,11-16H2
• Isomeric SMILES: C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=CC=CC=C8C(=O)[O-])CCC7
• PubChem CID: 2735129
• Molecular Weight: 490.59

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 Hydroquinolines Benzoic acids Benzoyl derivatives Dialkylarylamines Aralkylamines Carboxylic acid salts Amino acids Carboxylic acids Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic salts Hydrocarbon derivatives Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - Diaryl ether - Tetrahydroquinoline - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Tertiary amine - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Azacycle - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic salt - Organic oxide - Organonitrogen compound - Organooxygen 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: organic heteroheptacyclic compound - iminium betaine

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: methanol: soluble
• Sensitivity: Light sensitive
• Molecular Weight: 490.600 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 490.226 Da
• Monoisotopic Mass: 490.226 Da
• Topological Polar Surface Area: 55.600 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 1070.000
• 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. Jing Guo, Shaojun Yuan, Wei Jiang, Hairong Yue, Zhe Cui, Bin Liang.  (2015)  Adsorption and photocatalytic degradation behaviors of rhodamine dyes on surface-fluorinated TiO2 under visible irradiation.  RSC Advances,  6  (5): (4090-4100).  [PMID:] [10.1039/C5RA14379A]