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Names
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Preferred IUPAC name
Bis(tetraphenylboranuide) N,N,N-trimethyl-3-({(methylphosphonoyl)}oxy)-5-{4-butoxy}anilinium
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Identifiers
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3D model (JSmol)
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PubChem CID
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CompTox Dashboard (EPA)
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InChI
- InChI=1S/C26H43N2O5P.2C24H20B/c1-21(2)32-34(9,29)33-26-19-23(28(6,7)8)18-25(20-26)31-16-11-10-15-30-24-14-12-13-22(17-24)27(3,4)5;2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h12-14,17-21H,10-11,15-16H2,1-9H3;2*1-20H/q+2;2*-1Key: UBOLPSQXNCTHEF-UHFFFAOYSA-N
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SMILES
- (c1ccccc1)(c2ccccc2)(c3ccccc3)c4ccccc4.(c1ccccc1)(c2ccccc2)(c3ccccc3)c4ccccc4.CC(C)OP(=O)(C)Oc5cc((C)(C)C)cc(c5)OCCCCOc6cccc(c6)(C)(C)C
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Properties
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Chemical formula
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C74H83B2N2O5P
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Molar mass
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1133.08 g·mol
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Appearance
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Solid
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Melting point
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171–172 °C (340–342 °F; 444–445 K)
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Solubility in water
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Insoluble
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Solubility
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Soluble in acetone
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Hazards
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Occupational safety and health (OHS/OSH):
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Main hazards
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Extremely toxic
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Lethal dose or concentration (LD, LC):
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LD50 (median dose)
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93 μg/kg (Rats, IV) 17 μg/kg (Rabbits, IV)
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Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa).
Infobox references
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