Dibenzyl phosphate

C14H15O4PCAS 1623-08-1278.24 g/mol

Open in Covalent MOL file
OPOHOO
Phosphate

Properties

Molecular formula
C14H15O4P
Molar mass
278.24 g/mol
Exact mass
278.0708 Da
Melting point
79 °C
logP
3.52Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
6

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1623-08-1
SMILES
O=P(O)(OCc1ccccc1)OCc1ccccc1
InChIKey
HDFFVHSMHLDSLO-UHFFFAOYSA-N
InChI
InChI=1S/C14H15O4P/c15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,16)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Phosphoric acid, bis(phenylmethyl) ester
  • Phosphoric acid, dibenzyl ester
  • Benzyl phosphate, OP(OCH2Ph)2OH
  • Dibenzylphosphoric acid
  • Dibenzyl hydrogen phosphate

Work with Dibenzyl 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

P,P,P′,P′-Tetrakis(phenylmethyl) (diphosphate)990-91-057 % similar Benzyl formate104-57-450 % similar Diphenyl phosphate838-85-750 % similar (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-[hydroxy(phenylmethoxy)phosphoryl]oxypropanoic acid158171-14-345 % similar Benzylphosphonic acid6881-57-845 % similar Dibenzyl ether103-50-444 % similar 3-Benzyloxy-1-propanol4799-68-241 % similar Dibenzyl phosphite17176-77-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook