bis(2-methylphenyl)phosphane

• ChemBase ID: 142659
• Molecular Formular: C14H15P
• Molecular Mass: 214.242661
• Monoisotopic Mass: 214.09113711
• SMILES: Cc1ccccc1Pc1ccccc1C
• Canonical SMILES: Cc1ccccc1Pc1ccccc1C
• InChI: InChI=1S/C14H15P/c1-11-7-3-5-9-13(11)15-14-10-6-4-8-12(14)2/h3-10,15H,1-2H3
• InChIKey: QHRVFPPZMPHYHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-methylphenyl)phosphane
• IUPAC Traditional name: bis(2-methylphenyl)phosphane
• Synonyms: Bis(2-methylphenyl)phosphine; Di(o-tolyl)phosphine; 二(邻甲苯基)膦

Database IDs

• CAS Number: 29949-64-2
• MDL Number: MFCD05864006
• PubChem SID: 162236885
• PubChem CID: 4590856

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.1128
• LogD (pH = 7.4): 4.1128
• Log P: 4.1128
• Molar Refractivity: 67.031 cm^3
• Polarizability: 26.240788 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 42-46 °C
• Flash Point: >110 °C; >230 °F

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C14H15P

DETAILS

Sigma Aldrich - 710555

Packaging
1 g in glass bottle