chempirical

Di-tert-butyl phosphite

C8H19O3PCAS 13086-84-5194.21 g/mol

Open in Covalent MOL file
OPHOO

Properties

Molecular formula
C8H19O3P
Molar mass
194.21 g/mol
Exact mass
194.1072 Da
Density
0.975 g/mL (at 25 °C)
Melting point
above 235 °C (decomposes)
Boiling point
62–62.5 °C (at 4 Torr)
logP
3.01Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
13086-84-5
SMILES
CC(C)(C)O[PH](=O)OC(C)(C)C
InChIKey
HLMXUWAUCZMWOG-UHFFFAOYSA-N
InChI
InChI=1S/C8H19O3P/c1-7(2,3)10-12(9)11-8(4,5)6/h12H,1-6H3

Weigh it out

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

Names and synonyms

6 names
  • Phosphonic acid, bis(1,1-dimethylethyl) ester
  • Phosphonic acid, di-tert-butyl ester
  • tert-Butyl phosphonate ((C4H9O)2PH(O))
  • Di-tert-butyl phosphonate
  • tert-Butyl phosphite ((C4H9O)2P(OH))
  • 2-Methyl-2-[(2-methylpropan-2-yl)oxyphosphonoyloxy]propane

Work with Di-tert-butyl phosphite

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

tert-Butyl nitrite540-80-738 % similar Dimethylphosphite868-85-935 % similar Di-tert-butyl peroxide110-05-433 % similar Diisopropylphosphite1809-20-730 % similar Tri-t-butoxysilanol18166-43-330 % similar Diethylphosphite762-04-930 % similar Methyl tert-butyl ether1634-04-430 % similar

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

Same formula

Dibutyl phosphite1809-19-4 Diethyl butylphosphonate2404-75-3 Octylphosphonic acid4724-48-5

Elsewhere

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