[[(3,5-Dimethyl-1H-pyrrol-2-yl)(3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]methane](difluoroborane) - ≥98%(HPLC) , CAS No.121207-31-6

CAS: 121207-31-6 Cat. No.: D154725 Molecular Weight: 262.11 EC Number: 805-823-6

GRADE & PURITY ≥98%(HPLC)

Synonyms

MPBF2 | FT-0701408 | SCHEMBL14020660 | ylidene)methyl]methane](difluoroborane) | YSZC157 | AS-71734 | SY056362 | [[(3,5-Dimethyl-1H-pyrrol-2-yl)(3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]methane](difluoroborane) | D4341 | 5,5-Difluoro-1,3,7,9,10-pentamethyl

Storage

Room temperature

Shipped In

Normal

Overview

[[(3,5-Dimethyl-1H-pyrrol-2-yl)(3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]methane](difluoroborane) is an organoboron composed of dipyrromethene with a boron in the center. It is a fluorescent dye with a high quantum yield and an ability to absorb small molecules with sharp peaks in the ultraviolet region.

Specifications

Synonyms

MPBF2 | FT-0701408 | SCHEMBL14020660 | ylidene)methyl]methane](difluoroborane) | YSZC157 | AS-71734 | SY056362 | [[(3, 5-Dimethyl-1H-pyrrol-2-yl)(3, 5-dimethyl-2H-pyrrol-2-ylidene)methyl]methane](difluoroborane) | D4341 | 5, 5-Difluoro-1, 3, 7, 9, 10-pentamethyl

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504767714
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767714
• Canonical Smiles: [B-]1(N2C(=CC(=C2C(=C3[N+]1=C(C=C3C)C)C)C)C)(F)F
• IUPAC Name: 2,2-difluoro-4,6,8,10,12-pentamethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
• InChIKey: DRJHPEGNOPSARR-UHFFFAOYSA-N
• INCHI: 1S/C14H17BF2N2/c1-8-6-10(3)18-13(8)12(5)14-9(2)7-11(4)19(14)15(18,16)17/h6-7H,1-5H3
• Isomeric SMILES: [B-]1(N2C(=CC(=C2C(=C3[N+]1=C(C=C3C)C)C)C)C)(F)F
• Molecular Weight: 262.11
• Reaxy-Rn: 9341063
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9341063&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Not available
• Direct Parent: Substituted pyrroles
• Alternative Parents: Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic metalloid salts Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Substituted pyrrole - Heteroaromatic compound - Azacycle - Organic metalloid salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound
• Description: 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: 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

Associated Targets(non-human)

Chlamydia trachomatis (699 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Melt Point(°C): 257°C
• Molecular Weight: 262.110 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 262.145 Da
• Monoisotopic Mass: 262.145 Da
• Topological Polar Surface Area: 7.900 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 505.000
• 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

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