Rhodamine 640 Perchlorate - ≥90%(HPLC) , CAS No.72102-91-1

CAS: 72102-91-1 Cat. No.: R404969 Peso molecular: 591.06 Número EC: 276-345-8 PubChem CID: 153490

GRADE & PURITY ≥90%(HPLC)

Synonyms

SR-01000389333 | MFCD00799440 | DTXSID1072503 | Rhodamine 101 perchlorate | 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-, perchlorate | CCRIS 4957 | T72877 | EINECS 276-345-8 | 1H,5H,11

Storage

Room temperature,Cool

Shipped In

Normal

Descripción general

Maximum Absorption Wavelength:570(MeOH)nm

Specifications

Sinónimos

SR-01000389333 | MFCD00799440 | DTXSID1072503 | Rhodamine 101 perchlorate | 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-, perchlorate | CCRIS 4957 | T72877 | EINECS 276-345-8 | 1H, 5H, 11

Especificaciones y pureza

≥90%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature, Cool

Enviado en

Normal

Pureza

≥90%(HPLC)

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.[O-]Cl(=O)(=O)=O
• 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)benzoic acid;perchlorate
• InChIKey: DJWWHVKRLDNDJK-UHFFFAOYSA-N
• INCHI: 1S/C32H30N2O3.ClHO4/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;2-1(3,4)5/h1-2,9-10,17-18H,3-8,11-16H2;(H,2,3,4,5)
• Isómeros SMILES: C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=CC=CC=C8C(=O)O)CCC7.[O-]Cl(=O)(=O)=O
• PubChem CID: 153490
• Número ONU: 1479
• Grupo de embalaje: III
• Peso molecular: 591.06
• Reaxy-Rn: 4113927

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

Propiedades químicas y físicas

• Peso molecular: 591.000 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 590.182 Da
• Monoisotopic Mass: 590.182 Da
• Topological Polar Surface Area: 127.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 1180.000
• 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: 2

XLogP3

Referencias

1. Fang Fan, Li Zhang, Fangya Mu, Guoyue Shi.  (2021)  Using a High Quantum Yield Fluorescent Probe with Two-Photon Excitation to Detect Cisplatin in Biological Systems.  ACS Sensors,      [PMID:33656320] [10.1021/acssensors.1c00161]