Tris(2-methylphenyl) phosphite

C21H21O3PCAS 2622-08-4352.37 g/mol

Open in Covalent MOL file
OPOO

Properties

Molecular formula
C21H21O3P
Molar mass
352.37 g/mol
Exact mass
352.1228 Da
Density
1.1423 g/mL (at 20 °C)
Boiling point
248 °C (at 11 Torr)
logP
6.38Crippen estimate
Polar surface area
27.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
2622-08-4
SMILES
Cc1ccccc1OP(Oc1ccccc1C)Oc1ccccc1C
InChIKey
BKHZQJRTFNFCTG-UHFFFAOYSA-N
InChI
InChI=1S/C21H21O3P/c1-16-10-4-7-13-19(16)22-25(23-20-14-8-5-11-17(20)2)24-21-15-9-6-12-18(21)3/h4-15H,1-3H3

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Names and synonyms

9 names
  • Phosphorous acid, tris(2-methylphenyl) ester
  • Phosphorous acid, tri-o-tolyl ester
  • o-Tolyl phosphite ((C7H7O)3P)
  • o-Tolyl phosphite
  • Tri-o-cresyl phosphite
  • Tris(o-tolyloxy)phosphine
  • Tri-o-tolyl phosphite
  • Tris(o-methylphenyl) phosphite
  • Tris(2-methylphenoxy)phosphine

Work with Tris(2-methylphenyl) phosphite

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-Methylanisole578-58-556 % similar Tricresyl phosphate78-30-848 % similar O-Xylene95-47-648 % similar 2-(o-Tolyloxy)aniline3840-18-447 % similar 2-Methylphenyl acetate533-18-645 % similar 2-Bromotoluene95-46-544 % similar o-Cresyl glycidyl ether2210-79-944 % similar Allyl O-tolyl ether936-72-144 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Tris(3-methoxyphenyl)phosphine29949-84-6 Tris(2-methoxyphenyl)phosphine4731-65-1 Tris(4-methoxyphenyl)phosphine855-38-9

Elsewhere

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