bis(3,5-dimethylphenyl)phosphane

• ChemBase ID: 141854
• Molecular Formular: C16H19P
• Molecular Mass: 242.295821
• Monoisotopic Mass: 242.12243724
• SMILES: Cc1cc(cc(c1)Pc1cc(cc(c1)C)C)C
• Canonical SMILES: Cc1cc(Pc2cc(C)cc(c2)C)cc(c1)C
• InChI: InChI=1S/C16H19P/c1-11-5-12(2)8-15(7-11)17-16-9-13(3)6-14(4)10-16/h5-10,17H,1-4H3
• InChIKey: GPFIUEZTNRNFGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(3,5-dimethylphenyl)phosphane
• IUPAC Traditional name: bis(3,5-dimethylphenyl)phosphane
• Synonyms: Bis(3,5-dimethylphenyl)phosphine; 双(3,5-二甲苯基)磷

Database IDs

• CAS Number: 71360-06-0
• MDL Number: MFCD01074629
• PubChem SID: 162236088
• PubChem CID: 4185969

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.0472
• LogD (pH = 7.4): 5.0472
• Log P: 5.0472
• Molar Refractivity: 77.1134 cm^3
• Polarizability: 29.771551 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: >110 °C; >230 °F
• Density: 1.017 g/mL at 25 °C
• Refractive Index: n20/D 1.599

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Empirical Formula (Hill Notation): C16H19P

DETAILS

Sigma Aldrich - 695157

Packaging
100, 500 mg in glass bottle
Legal Information
Product of Kanata Chemical Technologies, Inc.