tris(2,4,6-trimethylphenyl)phosphane

• ChemBase ID: 75029
• Molecular Formular: C27H33P
• Molecular Mass: 388.524681
• Monoisotopic Mass: 388.23198769
• SMILES: P(c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Canonical SMILES: Cc1cc(C)cc(c1P(c1c(C)cc(cc1C)C)c1c(C)cc(cc1C)C)C
• InChI: InChI=1S/C27H33P/c1-16-10-19(4)25(20(5)11-16)28(26-21(6)12-17(2)13-22(26)7)27-23(8)14-18(3)15-24(27)9/h10-15H,1-9H3
• InChIKey: IDXDWPWXHTXJMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(2,4,6-trimethylphenyl)phosphane
• IUPAC Traditional name: tris(2,4,6-trimethylphenyl)phosphane
• Synonyms: Trimesitylphosphine; Tris(2,4,6-trimethylphenyl)phosphine; Tris(2,4,6-trimethylphenyl)phosphine; Tris(2,4,6-trimethylphenyl)phosphine; Trimesitylphosphine; 三均三甲苯基膦; 三异丙叉丙酮基膦

Database IDs

• CAS Number: 23897-15-6
• MDL Number: MFCD00014912
• PubChem SID: 162039947; 24864641
• PubChem CID: 2733417

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.3114
• LogD (pH = 7.4): 9.3114
• Log P: 9.3114
• Molar Refractivity: 126.9937 cm^3
• Polarizability: 48.230576 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 185-188 °C(lit.); 185-188°C

Safety Information

• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%; 98%
• Linear Formula: [(CH3)3C6H2]3P

DETAILS

Sigma Aldrich - 395080

Packaging
1, 5 g in glass bottle