261624-09-3

Basic information

• Product Name: benzoatosubphthalocyaninatoboron
• CAS NO: 261624-09-3
• Molecular Weight: 516.326
• Mol File: 261624-09-3.mol

Chemical Properties

• CAS DataBase Reference: benzoatosubphthalocyaninatoboron(CAS DataBase Reference)
• NIST Chemistry Reference: benzoatosubphthalocyaninatoboron(261624-09-3)
• EPA Substance Registry System: benzoatosubphthalocyaninatoboron(261624-09-3)

Safety Data

• Hazardous Substances Data: 261624-09-3(Hazardous Substances Data)

Upstream product

• 182575-02-6 bromo-[7,12:14,19-diimino-21,5-nitrilo-5H-tribenzo[c,h,m][1,6,11]triazacyclopentadecinato-(2)-κN22,κN23,κN24]-boron(III) 
• 65-85-0 benzoic acid 
• 182561-76-8 hydroxy-[7,12:14,19-diimino-21,5-nitrilo-5H-tribenzo[c,h,m][1,6,11]triazacyclopentadecinato-(2)-κN22,κN23,κN24]-boron(III) 
• 98-88-4 benzoyl chloride 
• 91-15-6 phthalonitrile 
• 261624-03-7 iso-propoxysubphthalocyaninatoboron 
• 3849-22-7 (3-oxo-2,3-dihydro-1H-isoindol-1-yl)-acetic acid 

Relevant articles and documents

Tribenzosubporphines: Synthesis and characterization

(Figure Presented) Keeping it in the family: A one-pot condensation with a boric acid template leads to the synthesis of subporphineboron(III) complexes (see example; B green, O red, N blue, C turquoise, H white), ring-contracted congeners of porphyrins.

Synthesis and structural characterization of boron subphthalocyaninates

Halosubphthalocyaninatoboron, [B(X)spc] (X = F, Cl, Br) is obtained by heating phthalonitrile with boron trihalide in quinoline (X = F) or the corresponding halobenzene, resp. [B(C6H5)spc] is prepared from phthalonitrile and tetraphenylborate or tetraphenyloboron oxide, resp. [B(OR)spc] (R = H, CH(CH3)2, C(CH3)3, C6H5) is synthesized by bromide substitution of [B(Br)spc] in pyridine/ HOR. Substitution of [B(Br)spc] in carboxylic acids yields [B(OOCR)spc] (R = H, CX3 (X = H, Cl, F), CH2X (X = Cl, C6H5), C6H5). All subphthalocyaninates are characterized electrochemically and by UV-VIS, IR/FIR, resonance Raman, and 1H/10B-NMR spectroscopy. Typical B-X stretching vibrations are at 622 (X = Br), 950 (Cl), 1063 (F), 1096 cm-1 (OH) as well as between 1119 and 1052 cm-1 (OR) resp. 985 and 1028cm-1 (OOCR). The difference v(C=O)-v(C-O) > 400 cm-1 confirms the unidentate coordination of the carboxylato ligands. According to the crystal structure analysis of [B(OH)s,pc], [B(OH)spc] · 2H2O, [B(C6H5)spc], [B(OC(CH3)3)spc], [B(OOCCH3)spc] · 0.5H2O · C2H5OH and [B(OOCCH3)spc] · 0.4H2O · 1.1 C5H5N the spc ligand is concavely distorted. This saucer shaped conformation is independent of the acido ligands and the presence of solvate. The outermost C atomes are vertically displaced in part by more than 2 A from the N, plane. The B atom is in a distorted tetrahedral coordination geometry. It is displaced by ca 0.64 A out of the NI plane towards the acido ligand. The average B-N distance is 1.500 A, and the B-O distances range from 1.418(5) to 1.473(2) A.