{2-[2,4-bis(propan-2-yl)-6-propylphenyl]-3,4,5,6-tetramethylphenyl}di-tert-butyl)phosphane

• ChemBase ID: 297374
• Molecular Formular: C33H53P
• Molecular Mass: 480.747681
• Monoisotopic Mass: 480.38848833
• SMILES: CCCc1cc(cc(c1c1c(c(c(c(c1P(C(C)(C)C)C(C)(C)C)C)C)C)C)C(C)C)C(C)C
• Canonical SMILES: CCCc1cc(cc(c1c1c(C)c(C)c(c(c1P(C(C)(C)C)C(C)(C)C)C)C)C(C)C)C(C)C
• InChI: InChI=1S/C33H53P/c1-16-17-26-18-27(20(2)3)19-28(21(4)5)30(26)29-24(8)22(6)23(7)25(9)31(29)34(32(10,11)12)33(13,14)15/h18-21H,16-17H2,1-15H3
• InChIKey: GHJSXQAZJDWZQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[2,4-bis(propan-2-yl)-6-propylphenyl]-3,4,5,6-tetramethylphenyl}di-tert-butyl)phosphane
• IUPAC Traditional name: di-tert-butyl[2-(2,4-diisopropyl-6-propylphenyl)-3,4,5,6-tetramethylphenyl]phosphane
• Synonyms: Me4 t-butylXPhos; Tetramethyl di-tBuXPhos; 2-Di-tert-butylphosphino-3,4,5,6-tetramethyl-2',4',6'-triisopropylbiphenyl

Database IDs

• CAS Number: 857356-94-6
• MDL Number: MFCD09038436
• PubChem SID: 180682905
• PubChem CID: 73995205

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 10.582101
• LogD (pH = 7.4): 10.585668
• Log P: 10.6118
• Molar Refractivity: 157.6047 cm^3
• Polarizability: 62.342808 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 166-168°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 98% min