Tris(o-tolyl)phosphine

C₂₁H₂₁PCAS 6163-58-2304.37 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₁H₂₁P
Molar mass: 304.37 g/mol
Exact mass: 304.1381 Da
Melting point: 125 °C
logP: 4.37Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation89.4% of notifiers
H319 Causes serious eye irritation89.4% of notifiers
H335 May cause respiratory irritation56.6% of notifiers
H400 Very toxic to aquatic life12.4% of notifiers
H410 Very toxic to aquatic life with long lasting effects12.4% of notifiers
H413 May cause long lasting harmful effects to aquatic life11.5% of notifiers

Aggregated from 113 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, P391, P403+P233, P405, P501

Identifiers

CAS number

6163-58-2

SMILES

Cc1ccccc1P(c1ccccc1C)c1ccccc1C

InChIKey

COIOYMYWGDAQPM-UHFFFAOYSA-N

InChI

InChI=1S/C21H21P/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3/h4-15H,1-3H3

Weigh it out

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

Names and synonyms

12 names

Phosphine, tris(2-methylphenyl)-
Phosphine, tri-o-tolyl-
Tris(2-methylphenyl)phosphine
Tri-2-tolylphosphine
Tri-o-tolylphosphine
Tris(o-methylphenyl)phosphine
Tris(2-tolyl)phosphine
Tris(2-toluene)phosphine
NSC 116667
TOTP
Tri(2-methylphenyl)phosphine
Tris-o-tolyphosphine

Work with Tris(o-tolyl)phosphine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Dichlorobis(tri-O-tolylphosphine)palladium(II)40691-33-6Salt

Similar compounds

Bis[tris(2-methylphenyl)phosphine]palladium69861-71-885 % similar O-Xylene95-47-656 % similar (2'-Methyl-[1,1'-biphenyl]-2-yl)diphenylphosphine402822-72-450 % similar 2-Bromotoluene95-46-550 % similar Tris(2,4-dimethylphenyl)phosphine49676-42-848 % similar 2-Chlorotoluene95-49-848 % similar O-Toluidine95-53-448 % similar Tris(2-methoxyphenyl)phosphine4731-65-146 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Tri-p-tolylphosphine1038-95-5 Tri-m-tolylphosphine6224-63-1 Tribenzylphosphine7650-89-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia