bis[2-(propan-2-yloxy)phenyl]phosphane

• ChemBase ID: 142967
• Molecular Formular: C18H23O2P
• Molecular Mass: 302.347781
• Monoisotopic Mass: 302.14356661
• SMILES: CC(C)Oc1ccccc1Pc1ccccc1OC(C)C
• Canonical SMILES: CC(Oc1ccccc1Pc1ccccc1OC(C)C)C
• InChI: InChI=1S/C18H23O2P/c1-13(2)19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)20-14(3)4/h5-14,21H,1-4H3
• InChIKey: YIPWRRYMXFYATQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis[2-(propan-2-yloxy)phenyl]phosphane
• IUPAC Traditional name: bis(2-isopropoxyphenyl)phosphane
• Synonyms: Bis(2-isopropoxyphenyl)phosphine; 双(2-异丙氧基苯基)膦

Database IDs

• CAS Number: 1202864-41-2
• MDL Number: MFCD15143652
• PubChem SID: 162237193
• PubChem CID: 67297914

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.1842
• LogD (pH = 7.4): 4.1842
• Log P: 4.1842
• Molar Refractivity: 88.2098 cm^3
• Polarizability: 35.06023 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 71-75 °C

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 1325
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 11
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H228
• GHS Precautionary statements: P210
• RID/ADR: UN 1325 4.1/PG 2

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C18H23O2P

DETAILS

Sigma Aldrich - 710431

Packaging
1 g in glass bottle