chempirical

tert-Butyldichlorophosphine

C4H9Cl2PCAS 25979-07-1158.99 g/mol

Open in Covalent MOL file
PClCl

Properties

Molecular formula
C4H9Cl2P
Molar mass
158.99 g/mol
Exact mass
157.9819 Da
Melting point
44–49 °C
Boiling point
146–148 °C
logP
3.57Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
25979-07-1
SMILES
CC(C)(C)P(Cl)Cl
InChIKey
NMJASRUOIRRDSX-UHFFFAOYSA-N
InChI
InChI=1S/C4H9Cl2P/c1-4(2,3)7(5)6/h1-3H3

Weigh it out

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

Names and synonyms

8 names
  • Phosphonous dichloride, P-(1,1-dimethylethyl)-
  • Phosphonous dichloride, tert-butyl-
  • Phosphonous dichloride, (1,1-dimethylethyl)-
  • P-(1,1-Dimethylethyl)phosphonous dichloride
  • tert-Butylphosphonous dichloride
  • Dichloro-tert-butylphosphine
  • tert-Butylphosphine dichloride
  • t-BuPCl2

Work with tert-Butyldichlorophosphine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Di-tert-butylchlorophosphine13716-10-450 % similar Tri-tert-butylphosphine13716-12-640 % similar 1,3-Bis(di-tert-butylphosphino)propane121115-33-130 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook