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250734-47-5

250734-47-5 Structure

250734-47-5 Structure
IdentificationBack Directory
[Name]

4,4-Difluoro-8-(4-iodophenyl)-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacene
[CAS]

250734-47-5
[Synonyms]

8-(4-iodophenyl)-1,3,5,7-tetramethyl BODIPY
4,4-Difluoro-8-(4-iodophenyl)-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacene
[1-[(3,5-Dimethyl-1H-pyrrol-2-yl)(3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]-4-iodobenzene](difluoroborane)
5,5-difluoro-10-(4-iodophenyl)-1,3,7,9-tetramethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide
Boron,[2-[(3,5-dimethyl-2H-pyrrol-2-ylidene-kN)(4-iodophenyl)methyl]-3,5-dimethyl-1H-pyrrolato-kN]difluoro-, (T-4)-
Boron, [2-[(3,5-dimethyl-2H-pyrrol-2-ylidene-κN)(4-iodophenyl)methyl]-3,5-dimethyl-1H-pyrrolato-κN]difluoro-, (T-4)-
[1-[(3,5-Dimethyl-1H-pyrrol-2-yl)(3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]-4-iodobenzene](difluoroborane)
[Molecular Formula]

C19H18BF2IN2
[MDL Number]

MFCD29905036
[MOL File]

250734-47-5.mol
[Molecular Weight]

451.08
Chemical PropertiesBack Directory
[Melting point ]

213-215 °C
[form ]

powder to crystal
[color ]

Light yellow to Yellow to Orange
[InChI]

InChI=1S/C19H19BF2IN2/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/h5-10,13H,1-4H3
[InChIKey]

SQHQDAPVIZQVLY-UHFFFAOYSA-N
[SMILES]

C1(C)=C2N(B(F)(F)N3C(=C2C2=CC=C(I)C=C2)C(C)=CC3C)C(C)=C1
[CAS DataBase Reference]

250734-47-5
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P337+P313-P305+P351+P338-P302+P352-P332+P313-P362
[HS Code ]

2934.99.4400
Hazard InformationBack Directory
[Uses]

8-(4-Iodophenyl)-1,3,5,7-tetramethyl BODIPY is a BODIPY derivative that can be used as a fluorescent probe for GFP-labeled muscarinic M1 receptor[1].
[Definition]

ChEBI: 4,4-difluoro-8-(4-iodophenyl)-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacene is a BODIPY dye.
[References]

[1] Tahtaoui C, et al., Convenient method to access new 4,4-dialkoxy- and 4,4-diaryloxy-diaza-s-indacene dyes: Synthesis and spectroscopic evaluation. J Org Chem. 2007 Jan 5;72(1):269-72. DOI:10.1021/jo061567m
Spectrum DetailBack Directory
[Spectrum Detail]

4,4-Difluoro-8-(4-iodophenyl)-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacene(250734-47-5)1HNMR
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