chempirical

Chiraphos

C28H28P2CAS 64896-28-2426.48 g/mol

Open in Covalent MOL file
PP
Phosphine

Properties

Molecular formula
C28H28P2
Molar mass
426.48 g/mol
Exact mass
426.1666 Da
logP
6.03Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
7
Stereocentres
S, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 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, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
64896-28-2
SMILES
C[C@@H]([C@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIKey
FWXAUDSWDBGCMN-ZEQRLZLVSA-N
InChI
InChI=1S/C28H28P2/c1-23(29(25-15-7-3-8-16-25)26-17-9-4-10-18-26)24(2)30(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-24H,1-2H3/t23-,24-/m0/s1

Weigh it out

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

Names and synonyms

17 names · show all
  • Chiraphos, (S,S)-
  • 1,1′-[(1S,2S)-1,2-Dimethyl-1,2-ethanediyl]bis[1,1-diphenylphosphine]
  • Phosphine, 1,1′-[(1S,2S)-1,2-dimethyl-1,2-ethanediyl]bis[1,1-diphenyl-
  • Phosphine, (1,2-dimethyl-1,2-ethanediyl)bis[diphenyl-, [S-(R*,R*)]-
  • Phosphine, [(1S,2S)-1,2-dimethyl-1,2-ethanediyl]bis[diphenyl-
  • (S,S)-(-)-Chiraphos
  • (S,S)-Chiraphos
  • (-)-Chiraphos
  • [S-(R*,R*)]-2,3-Bis(diphenylphosphino)butane
  • (2S,3S)-2,3-Bis(diphenylphosphino)butane
  • (S,S)-2,3-Bis(diphenylphosphino)butane
  • (S,S)-(-)-(1,2-Dimethyl-1,2-ethanediyl)bis(diphenylphosphine)
  • [(1S,2S)-1,2-Dimethyl-1,2-ethanediyl]bis[diphenylphosphine]
  • (2S,3S)-Chiraphos
  • 2S,3S-Bis(diphenylphosphino)butane
  • (2S,3S)-(-)-2,3-Bis(diphenylphosphino)butane
  • (1S,2S)-1,2-Dimethyl-1,2-ethanediyl]bis[diphenylphosphine

Work with Chiraphos

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

(1-Methylethyl)diphenylphosphine6372-40-364 % similar (2S,4S)-(-)-2,4-Bis(diphenylphosphino)pentane77876-39-256 % similar 1,1'-((1R)-1-Methyl-1,2-ethanediyl)bis(diphenylphosphine)67884-32-650 % similar Cyclohexyldiphenylphosphine6372-42-544 % similar Ethyldiphenylphosphine607-01-244 % similar Methyldiphenylphosphine1486-28-843 % similar Dimethylphenylphosphine672-66-243 % similar Triphenylphosphine603-35-043 % similar

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

Same formula

1,4-Bis(diphenylphosphino)butane7688-25-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook