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

CAS: 116450-56-7 Cat. No.: R591045 Peso molecular: 490.59 Número EC: 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

Descripción general

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

Specifications

Sinónimos

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

Especificaciones y pureza

for fluorescence analysis

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

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

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

for Fluorescence analysis

Propiedades del producto

• Rangos de excitación y emisión: λex 560 nm, λem 589 nm in methanol

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=CC=CC=C8C(=O)[O-])CCC7
• PubChem CID: 2735129
• Peso molecular: 490.59

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: methanol: soluble
• Sensibilidad: Light sensitive
• Peso molecular: 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

Referencias

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]