Chemical Properties of Hexadecabromophthalocyanine (CAS 28746-04-5)

Hexadecabromophthalocyanine

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InChI
InChI=1S/C32H2Br16N8/c33-9-1-2(10(34)18(42)17(9)41)26-49-25(1)53-27-3-4(12(36)20(44)19(43)11(3)35)29(50-27)55-31-7-8(16(40)24(48)23(47)15(7)39)32(52-31)56-30-6-5(28(51-30)54-26)13(37)21(45)22(46)14(6)38/h(H2,49,50,51,52,53,54,55,56)
InChI Key
UJMYDIWJKAQQMT-UHFFFAOYSA-N
Formula
C32H2Br16N8
SMILES
Brc1c(Br)c(Br)c2c(c1Br)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1c(Br)c(Br)c(Br)c(Br)c41)-c1c(Br)c(Br)c(Br)c(Br)c1-3)c1c(Br)c(Br)c(Br)c(Br)c21
Molecular Weight1
1776.88
CAS
28746-04-5
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Physical Properties

Property Value Unit Source
log10WS -33.57 Crippen Calculated Property
logPoct/wat 18.105 Crippen Calculated Property
McVol 642.140 ml/mol McGowan Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔsubH 109.00 ± 16.00 kJ/mol 465.50 NIST

Similar Compounds

(-)-Bunolol, PFB-TMS. Quebrachamine. Edulisin III. Octaethyl-porphyrin, Si-(OTBDMS)2-derivative. amikacin. Indomethacin, isobutyl ester. C31-Aetio-porphyrin, Si-(OTMS)2-derivative. N-Acetyl-D-glucosamine, tetrakis(trimethylsilyl) ether (isomer 1). Mirtazapine-M (nor-) AC. N-Acetyl-D-glucosamine, tetrakis(trimethylsilyl) ether (isomer 2). Mifepristone. N-Desmethylmirtazapine. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Dihydromorphine.

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Sources

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