2-(Di-tert-butylphosphino)-2′-methyl-1,1′-biphenyl

C₂₁H₂₉PCAS 255837-19-5312.44 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₁H₂₉P
Molar mass: 312.44 g/mol
Exact mass: 312.2007 Da
Melting point: 91–92 °C
logP: 6.37Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation80% of notifiers
H413 May cause long lasting harmful effects to aquatic life20% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

255837-19-5

SMILES

Cc1ccccc1-c1ccccc1P(C(C)(C)C)C(C)(C)C

InChIKey

UJONYAVMBYXBJQ-UHFFFAOYSA-N

InChI

InChI=1S/C21H29P/c1-16-12-8-9-13-17(16)18-14-10-11-15-19(18)22(20(2,3)4)21(5,6)7/h8-15H,1-7H3

Weigh it out

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

Names and synonyms

3 names

Phosphine, bis(1,1-dimethylethyl)(2′-methyl[1,1′-biphenyl]-2-yl)-
Bis(1,1-dimethylethyl)(2′-methyl[1,1′-biphenyl]-2-yl)phosphine
2-Di-t-butylphosphino-2′-methylbiphenyl

Work with 2-(Di-tert-butylphosphino)-2′-methyl-1,1′-biphenyl

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-(Di-tert-butylphosphino)biphenyl224311-51-761 % similar 2′-[Bis(1,1-dimethylethyl)phosphino]-N,N-dimethyl[1,1′-biphenyl]-2-amine224311-49-357 % similar (2'-Methyl-[1,1'-biphenyl]-2-yl)diphenylphosphine402822-72-455 % similar Di-tert-butyl((2',6'-dimethoxy-(1,1'-biphenyl)-2-yl))phosphane819867-21-551 % similar 2-(Dicyclohexylphosphino)-2′-methylbiphenyl251320-86-247 % similar Di-tert-butyl(2',4',6'-tris(propan-2-yl)-(1,1'-biphenyl)-2-yl)phosphane564483-19-846 % similar Tris(o-tolyl)phosphine6163-58-243 % similar (1,1'-Binaphthalen)-2-yldi-tert-butylphosphine255836-67-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook