2-Dicyclohexylphosphino-2',6'-dimethoxybiphenyl

C₂₆H₃₅O₂PCAS 657408-07-6410.54 g/mol

Open in Covalent MOL file

Ether Phosphine

Properties

Molecular formula: C₂₆H₃₅O₂P
Molar mass: 410.54 g/mol
Exact mass: 410.2375 Da
Melting point: 125–127 °C
logP: 7.14Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin14.3% of notifiers
H315 Causes skin irritation85.7% of notifiers
H317 May cause an allergic skin reaction35.7% of notifiers
H319 Causes serious eye irritation85.7% of notifiers
H332 Harmful if inhaled14.3% of notifiers
H335 May cause respiratory irritation57.1% of notifiers

Aggregated from 14 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

657408-07-6

SMILES

COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

InChIKey

VNFWTIYUKDMAOP-UHFFFAOYSA-N

InChI

InChI=1S/C26H35O2P/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h9-11,16-21H,3-8,12-15H2,1-2H3

Weigh it out

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

Names and synonyms

9 names

Sphos
Phosphine, dicyclohexyl(2′,6′-dimethoxy[1,1′-biphenyl]-2-yl)-
Dicyclohexyl(2′,6′-dimethoxy[1,1′-biphenyl]-2-yl)phosphine
2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl
2-(Dicyclohexylphosphino)-2′,6′-dimethoxy-1,1′-biphenyl
Dicyclohexyl(2′,6′-dimethoxybiphenyl-2-yl)phosphine
S-Phos
(2,6-Dimethoxy-1,1′-biphenyl-2-yl)dicyclohexylphosphine
(2′,6′-Dimethoxy-[1,1′-Biphenyl]-2-yl)dicyclohexylphosphine

Work with 2-Dicyclohexylphosphino-2',6'-dimethoxybiphenyl

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

2-(Dicyclohexylphosphino)-2'-methoxybiphenyl255835-82-678 % similar [2′,6′-Bis(1-methylethoxy)[1,1′-biphenyl]-2-yl]dicyclohexylphosphine787618-22-873 % similar [2',4'-Bis(1,1-dimethylethyl)-6'-methoxy[1,1'-biphenyl]-2-yl]dicyclohexylphosphine1848244-75-661 % similar (SP-4-4)-[2-[2-(Amino-κN)ethyl]phenyl-κC]chloro[dicyclohexyl(2′,6′-dimethoxy[1,1′-biphenyl]-2-yl)phosphine-κP]palladium1028206-58-761 % similar CPhos1160556-64-860 % similar Bis(2-dicyclohexylphosphinophenyl)ether434336-16-058 % similar 2-(Dicyclohexylphosphino)biphenyl247940-06-356 % similar 2-(Dicyclohexylphosphino)-2′-methylbiphenyl251320-86-256 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia