tris(2-nonylphenyl) phosphite

• ChemBase ID: 147610
• Molecular Formular: C45H69O3P
• Molecular Mass: 689.001321
• Monoisotopic Mass: 688.4984327
• SMILES: CCCCCCCCCc1ccccc1OP(Oc1ccccc1CCCCCCCCC)Oc1ccccc1CCCCCCCCC
• Canonical SMILES: CCCCCCCCCc1ccccc1OP(Oc1ccccc1CCCCCCCCC)Oc1ccccc1CCCCCCCCC
• InChI: InChI=1S/C45H69O3P/c1-4-7-10-13-16-19-22-31-40-34-25-28-37-43(40)46-49(47-44-38-29-26-35-41(44)32-23-20-17-14-11-8-5-2)48-45-39-30-27-36-42(45)33-24-21-18-15-12-9-6-3/h25-30,34-39H,4-24,31-33H2,1-3H3
• InChIKey: WGKLOLBTFWFKOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(2-nonylphenyl) phosphite
• IUPAC Traditional name: tris(2-nonylphenyl) phosphite
• Synonyms: Tris(nonylphenyl) phosphite; 三(壬苯基)亚磷酸酯

Database IDs

• CAS Number: 26523-78-4
• EC Number: 247-759-6
• MDL Number: MFCD00015301
• PubChem SID: 162241797; 24867705
• PubChem CID: 85595

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 16.8638
• LogD (pH = 7.4): 16.8638
• Log P: 16.8638
• Molar Refractivity: 212.8571 cm^3
• Polarizability: 83.84219 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 30
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: >360 °C(lit.)
• Flash Point: >113 °C; >235.4 °F
• Density: 0.99 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.528(lit.)

Safety Information

• RTECS: RB2451000
• German water hazard class: 2
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Linear Formula: (C9H19C6H4O)3P

DETAILS

Sigma Aldrich - 441805

Application
Heat stabilizer for polymers
Packaging
250 mL in poly bottle