tris(4-methylphenyl)phosphane

• ChemBase ID: 83005
• Molecular Formular: C21H21P
• Molecular Mass: 304.365201
• Monoisotopic Mass: 304.1380873
• SMILES: P(c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)P(c1ccc(cc1)C)c1ccc(cc1)C
• InChI: InChI=1S/C21H21P/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3
• InChIKey: WXAZIUYTQHYBFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(4-methylphenyl)phosphane
• IUPAC Traditional name: tris(4-methylphenyl)phosphane
• Synonyms: TPTP; Tri(p-tolyl)phosphine; PHOSPHORUS TRI-p-TOLYL; tris(4-methylphenyl)phosphine; Tri-p-tolylphosphine; Tris(4-methylphenyl)phosphine; Tris(p-tolyl)phosphine; 三(对甲苯基)膦

Database IDs

• CAS Number: 1038-95-5
• EC Number: 213-863-5
• MDL Number: MFCD00008542
• Beilstein Number: 651045
• PubChem SID: 162070124; 24857296
• PubChem CID: 13956

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.5082
• LogD (pH = 7.4): 6.5082
• Log P: 6.5082
• Molar Refractivity: 96.7465 cm^3
• Polarizability: 37.638176 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 144-146°C; 144-148 °C; 144-148 °C(lit.)

Safety Information

• Storage Warning: Air Sensitive
• RTECS: SZ3880000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R:36/37/38
• Safety Statements: 26-36; 26-37; S:20-25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (GC); 98%
• Grade: purum
• Linear Formula: (CH3C6H4)3P

DETAILS

MP Biomedicals - 05223176

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 287830

Packaging
5 g in glass bottle

Sigma Aldrich - 93414

Other Notes
Ligand used in organometallic chemistry1,2,3,4