bis(2,4,6-trimethylphenyl)phosphane

• ChemBase ID: 142420
• Molecular Formular: C18H23P
• Molecular Mass: 270.348981
• Monoisotopic Mass: 270.15373737
• SMILES: Cc1cc(c(c(c1)C)Pc1c(cc(cc1C)C)C)C
• Canonical SMILES: Cc1cc(C)cc(c1Pc1c(C)cc(cc1C)C)C
• InChI: InChI=1S/C18H23P/c1-11-7-13(3)17(14(4)8-11)19-18-15(5)9-12(2)10-16(18)6/h7-10,19H,1-6H3
• InChIKey: NBXSLXZWWHEDPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2,4,6-trimethylphenyl)phosphane
• IUPAC Traditional name: bis(2,4,6-trimethylphenyl)phosphane
• Synonyms: Dimesitylphosphine; Bis(2,4,6-trimethylphenyl)phosphine; 二(2,4,6-三甲基苯基)膦; 双(2,4,6-三甲基苯基)膦

Database IDs

• CAS Number: 1732-66-7
• MDL Number: MFCD05864007
• PubChem SID: 162236650
• PubChem CID: 4590857

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.9816
• LogD (pH = 7.4): 5.9816
• Log P: 5.9816
• Molar Refractivity: 87.1958 cm^3
• Polarizability: 33.30219 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 95-100 °C

Safety Information

• German water hazard class: 2
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C18H23P

DETAILS

Sigma Aldrich - 704075

Packaging
500 mg in glass bottle