1,3,5,7-Tetramethyl-8-phenyl-4,4-difluoroboradiazaindacene - ≥97% , CAS No.194235-40-0

CAS: 194235-40-0 Cat. No.: D305296 Peso molecular: 324.175 Número EC: 809-081-4

GRADE & PURITY ≥97%

Synonyms

4,4-difluoro-1,3,5,7-tetramethyl-8-phenyl-4-bora-3a,4a-diaza-s-indacene | Q27122449 | 5,5-Difluoro-1,3,7,9-tetramethyl-10-phenyl-5H-dipyrrolo[1,2-c:2 inverted exclamation mark ,1 inverted exclamation mark -f][1,3,2]diazaborinin-4-ium-5-uide | MFCD32173957

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Descripción general

1,3,5,7-Tetramethyl-8-phenyl-4,4-difluoroboradiazaindacene (BODIPY) is a difluoroboradiaza-s-indacene derivative that has high absorption coefficient and quantum yield with photonic properties. It is used as an acceptor molecule that facilitates the formation of fluorescent probes.

Specifications

Sinónimos

4, 4-difluoro-1, 3, 5, 7-tetramethyl-8-phenyl-4-bora-3a, 4a-diaza-s-indacene | Q27122449 | 5, 5-Difluoro-1, 3, 7, 9-tetramethyl-10-phenyl-5H-dipyrrolo[1, 2-c:2 inverted exclamation mark , 1 inverted exclamation mark -f][1, 3, 2]diazaborinin-4-ium-5-uide | MFCD32173957

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504769946
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769946
• Sonrisas canónicas: [B-]1(N2C(=CC(=C2C(=C3[N+]1=C(C=C3C)C)C4=CC=CC=C4)C)C)(F)F
• IUPAC Name: 2,2-difluoro-4,6,10,12-tetramethyl-8-phenyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
• InChIKey: QFNRXPJMRSOECW-UHFFFAOYSA-N
• INCHI: 1S/C19H19BF2N2/c1-12-10-14(3)23-18(12)17(16-8-6-5-7-9-16)19-13(2)11-15(4)24(19)20(23,21)22/h5-11H,1-4H3
• Isómeros SMILES: [B-]1(N2C(=CC(=C2C(=C3[N+]1=C(C=C3C)C)C4=CC=CC=C4)C)C)(F)F
• Peso molecular: 324.175
• Reaxy-Rn: 8791276
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8791276&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Not available
• Direct Parent: Substituted pyrroles
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic metalloid salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as substituted pyrroles. These are heterocyclic compounds containing a pyrrole ring substituted at one or more positions.
• External Descriptors: BODIPY dye

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

• Sensibilidad: light & Moisture sensitive
• Punto de fusión (°C): 174-179°C
• Peso molecular: 324.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 324.161 Da
• Monoisotopic Mass: 324.161 Da
• Topological Polar Surface Area: 7.900 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 616.000
• 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

XLogP3

Referencias

1. Bei Jiang, Jintao Jiang, Xinrui He, Yilei Zhu, Chao Guo.  (2025)  A novel iodine-mediated FRET sensor for the assessment of total antioxidant capacity.  JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY,      [PMID:] [10.1016/j.jphotochem.2025.116413]

2. Liu Xuan, Cui Enna, Wang Mengxiao, Zhu Yujie, Li Hongliang, Guo Chao.  (2024)  Heavy atom-induced quenching of fluorescent organosilicon nanoparticles for iodide sensing and total antioxidant capacity assessment.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,      [PMID:38864917] [10.1007/s00216-024-05377-8]