tris(2-methylphenyl) phosphite

• ChemBase ID: 108100
• Molecular Formular: C21H21O3P
• Molecular Mass: 352.363401
• Monoisotopic Mass: 352.12283116
• SMILES: Cc1ccccc1OP(Oc1ccccc1C)Oc1ccccc1C
• Canonical SMILES: Cc1ccccc1OP(Oc1ccccc1C)Oc1ccccc1C
• InChI: InChI=1S/C21H21O3P/c1-16-10-4-7-13-19(16)22-25(23-20-14-8-5-11-17(20)2)24-21-15-9-6-12-18(21)3/h4-15H,1-3H3
• InChIKey: BKHZQJRTFNFCTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(2-methylphenyl) phosphite
• IUPAC Traditional name: tris(2-methylphenyl) phosphite
• Synonyms: Tri-o-cresyl phosphite; Tris(2-tolyl)phosphite; Tri(o-tolyl) phosphite; TRI-2-TOLYLPHOSPHITE; 三(2-甲苯)膦

Database IDs

• CAS Number: 2622-08-4
• EC Number: 220-068-7
• MDL Number: MFCD00014911
• PubChem SID: 162106101
• PubChem CID: 92937

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 7.3526
• LogD (pH = 7.4): 7.3526
• Log P: 7.3526
• Molar Refractivity: 102.4331 cm^3
• Polarizability: 39.551624 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 200-202°C/2.4-2.6mm
• Flash Point: >110°C(230°F)

Safety Information

• Storage Warning: Air Sensitive
• RTECS: TH1050000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: typically C 71%, H 6%

DETAILS

MP Biomedicals - 05206084

MP Biomedicals Rare Chemical collection