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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items [1-[(3,5-Dimethyl-1H-pyrrol-2-yl)(3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]-4-iodobenzene](difluoroborane) - ≥98% , CAS No.250734-47-5
Synonyms
{2-[(3,5-dimethyl-2H-pyrrol-2-ylidene-kappaN)(4-iodophenyl)methyl]-3,5-dimethyl-1H-pyrrolato-kappaN}(difluoro)boron | SY056066 | 5,5-Difluoro-10-(4-iodophenyl)-1,3,7,9-tetramethyl-5H-dipyrrolo[1,2-c:2 inverted exclamation mark ,1 inverted exclamation mark
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
{2-[(3, 5-dimethyl-2H-pyrrol-2-ylidene-kappaN)(4-iodophenyl)methyl]-3, 5-dimethyl-1H-pyrrolato-kappaN}(difluoro)boron | SY056066 | 5, 5-Difluoro-10-(4-iodophenyl)-1, 3, 7, 9-tetramethyl-5H-dipyrrolo[1, 2-c:2 inverted exclamation mark , 1 inverted exclamation mark
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488200747 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488200747 Sonrisas canónicas [B-]1(N2C(=CC(=C2C(=C3[N+]1=C(C=C3C)C)C4=CC=C(C=C4)I)C)C)(F)F IUPAC Name 2,2-difluoro-8-(4-iodophenyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene InChIKey VPZZHCAOEMWMSI-UHFFFAOYSA-N INCHI 1S/C19H18BF2IN2/c1-11-9-13(3)24-18(11)17(15-5-7-16(23)8-6-15)19-12(2)10-14(4)25(19)20(24,21)22/h5-10H,1-4H3 Isómeros SMILES [B-]1(N2C(=CC(=C2C(=C3[N+]1=C(C=C3C)C)C4=CC=C(C=C4)I)C)C)(F)F Peso molecular 450.08 Reaxy-Rn 8442817 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8442817&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Clase Benzene and substituted derivatives Subclass Halobenzenes Intermediate Tree Nodes Not available Direct Parent Iodobenzenes Alternative Parents Substituted pyrroles Aryl iodides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Iodobenzene - Aryl halide - Aryl iodide - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Organic metalloid salt - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organonitrogen compound - Organoiodide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organohalogen compound - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene. 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.
Estructura 3D Objetivos asociados (humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Punto de fusión (°C) 236 °C(dec.) Peso molecular 450.100 g/mol XLogP3 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 1 Exact Mass 450.058 Da Monoisotopic Mass 450.058 Da Topological Polar Surface Area 7.900 Ų Heavy Atom Count 25 Formal Charge 0 Complexity 649.000 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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