bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphane

• ChemBase ID: 141528
• Molecular Formular: C30H47O2P
• Molecular Mass: 470.666741
• Monoisotopic Mass: 470.33136737
• SMILES: CC(C)(C)c1cc(cc(c1OC)C(C)(C)C)Pc1cc(c(c(c1)C(C)(C)C)OC)C(C)(C)C
• Canonical SMILES: COc1c(cc(cc1C(C)(C)C)Pc1cc(c(c(c1)C(C)(C)C)OC)C(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C30H47O2P/c1-27(2,3)21-15-19(16-22(25(21)31-13)28(4,5)6)33-20-17-23(29(7,8)9)26(32-14)24(18-20)30(10,11)12/h15-18,33H,1-14H3
• InChIKey: AZEBUSRDBBMQGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphane
• IUPAC Traditional name: bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphane
• Synonyms: Bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphine; 二(3,5-二叔丁基-4-甲氧基苯基)膦

Database IDs

• CAS Number: 1173023-24-9
• MDL Number: MFCD08458882
• PubChem SID: 162235762
• PubChem CID: 21895223

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 9.1818
• LogD (pH = 7.4): 9.1818
• Log P: 9.1818
• Molar Refractivity: 144.5386 cm^3
• Polarizability: 56.88273 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 114-119 °C

Safety Information

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

Product Information

• Empirical Formula (Hill Notation): C30H47O2P

DETAILS

Sigma Aldrich - 694673

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