1,2-Bis(bis(pentafluorophenyl)phosphino)ethane

C₂₆H₄F₂₀P₂CAS 76858-94-1758.23 g/mol

Open in Covalent MOL file

Aryl halide Phosphine

Properties

Molecular formula: C₂₆H₄F₂₀P₂
Molar mass: 758.23 g/mol
Exact mass: 757.9469 Da
logP: 8.03Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 7

Hazards

Danger

H301 Toxic if swallowed66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

76858-94-1

SMILES

C(CP(C1=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F)P(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F

InChIKey

IGLFIYOFKVGEBP-UHFFFAOYSA-N

InChI

InChI=1S/C26H4F20P2/c27-3-7(31)15(39)23(16(40)8(3)32)47(24-17(41)9(33)4(28)10(34)18(24)42)1-2-48(25-19(43)11(35)5(29)12(36)20(25)44)26-21(45)13(37)6(30)14(38)22(26)46/h1-2H2

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Names and synonyms

1 names

1,2-Bis(dipentafluorophenylphosphino)ethane

Work with 1,2-Bis(bis(pentafluorophenyl)phosphino)ethane

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

Tris(pentafluorophenyl)phosphine1259-35-450 % similar Hexafluorobenzene392-56-340 % similar Bis(2,3,4,5,6-pentafluorophenyl)phenylphosphine5074-71-535 % similar Diphenyl(pentafluorophenyl)phosphine5525-95-135 % similar Octafluoronaphthalene313-72-433 % similar Decafluorobiphenyl434-90-233 % similar Pentafluorobenzyl bromide1765-40-830 % similar Pentafluorobenzyl alcohol440-60-830 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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