chempirical

tert-Butylphenyl diphenyl phosphate

C22H23O4PCAS 56803-37-3382.40 g/mol

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OPOOO
Phosphate

Properties

Molecular formula
C22H23O4P
Molar mass
382.40 g/mol
Exact mass
382.1334 Da
Density
1.18 g/mL (at 25 °C)
Boiling point
261 °C (at 6 Torr)
Flash point
223.9 °C
Water solubility
3.2 mg/L (25 °C)
logP
6.63Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6

Hazards

Not classified as hazardous under GHS by 91 ECHA notifiers. Aggregated from 91 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
56803-37-3
SMILES
CC(C)(C)C1=CC=CC=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChIKey
VDIFKDMFGPIVCQ-UHFFFAOYSA-N
InChI
InChI=1S/C22H23O4P/c1-22(2,3)20-16-10-11-17-21(20)26-27(23,24-18-12-6-4-7-13-18)25-19-14-8-5-9-15-19/h4-17H,1-3H3

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Names and synonyms

3 names
  • Phosphoric acid, (1,1-dimethylethyl)phenyl diphenyl ester
  • Diphenyl tert-butylphenyl phosphate
  • BPDP

Work with tert-Butylphenyl diphenyl phosphate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cresyl diphenyl phosphate26444-49-559 % similar Triphenyl phosphate115-86-658 % similar Tetraphenyl bisphenol A bisphosphate5945-33-555 % similar Isopropylphenyl diphenyl phosphate28108-99-855 % similar Resorcinol bis(diphenyl phosphate)57583-54-751 % similar Tricresyl phosphate78-30-846 % similar Tri-p-cresyl phosphate78-32-041 % similar Diphenyl chlorophosphate2524-64-337 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook