tris-(p-tert-Butylphenyl) phosphate - CAS 78-33-1
Catalog:
BB044236
Product Name:
tris-(p-tert-Butylphenyl) phosphate
CAS:
78-33-1
Synonyms:
tris(4-t-butylphenyl) phosphate; tris-(p-t-Butylphenyl) phosphate; 4-(1,1-dimethylethyl)-phenophosphate (3:1); Phenol, 4-(1,1-dimethylethyl)-, phosphate (3:1); Phenol, p-tert-butyl-, phosphate (3:1)
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BB044236
1 g
$159
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IUPAC Name: tris(4-tert-butylphenyl) phosphate
Description: tris-(p-tert-Butylphenyl) phosphate is a useful research chemical.
Molecular Weight: 494.6
Molecular Formula: C30H39O4P
Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C(C)(C)C)OC3=CC=C(C=C3)C(C)(C)C
InChI: InChI=1S/C30H39O4P/c1-28(2,3)22-10-16-25(17-11-22)32-35(31,33-26-18-12-23(13-19-26)29(4,5)6)34-27-20-14-24(15-21-27)30(7,8)9/h10-21H,1-9H3
InChI Key: LORSVOJSXMHDHF-UHFFFAOYSA-N
Boiling Point: 519.5 ℃ at 760 mmHg
Melting Point: 90 ℃
Density: 1.08 g/cm3
Appearance: White to Pale Yellow Solid
Complexity: 594
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 494.25859672
Formal Charge: 0
Heavy Atom Count: 35
Hydrogen Bond Acceptor Count: 4
Hydrogen Bond Donor Count: 0
Isotope Atom Count: 0
Monoisotopic Mass: 494.25859672
Rotatable Bond Count: 9
Topological Polar Surface Area: 44.8
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 9
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