(2-methylphenyl)({2-[(2-methylphenyl)(phenyl)phosphanyl]ethyl})phenylphosphane

• ChemBase ID: 141171
• Molecular Formular: C28H28P2
• Molecular Mass: 426.469442
• Monoisotopic Mass: 426.16662416
• SMILES: Cc1ccccc1P(CCP(c1ccccc1)c1ccccc1C)c1ccccc1
• Canonical SMILES: Cc1ccccc1P(c1ccccc1)CCP(c1ccccc1C)c1ccccc1
• InChI: InChI=1S/C28H28P2/c1-23-13-9-11-19-27(23)29(25-15-5-3-6-16-25)21-22-30(26-17-7-4-8-18-26)28-20-12-10-14-24(28)2/h3-20H,21-22H2,1-2H3
• InChIKey: RCMMGTSPHFJVET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylphenyl)({2-[(2-methylphenyl)(phenyl)phosphanyl]ethyl})phenylphosphane
• IUPAC Traditional name: (2-methylphenyl)({2-[(2-methylphenyl)(phenyl)phosphanyl]ethyl})phenylphosphane
• Synonyms: (S,S)-1,2-Bis[(o-tolyl)(phenylphosphino)]ethane; (S,S)-1,2-Ethanediylbis[(2-methylphenyl)phenylphosphine]; (S,S)-o-Tolyl-DIPAMP; (R,R)-1,2-Bis[(o-tolyl)(phenylphosphino)]ethane; (R,R)-1,2-Ethanediylbis[(2-methylphenyl)phenylphosphine]; (R,R)-o-Tolyl-DIPAMP; (S,S)-1,2-乙烷二基双[(2-甲苯基)苯基膦]; (S,S)-1,2-二[(邻甲苯基)(苯基膦)]乙烷; (S,S)-邻甲苯基-DIPAMP; (R,R)-1,2-乙烷二基双[(2-甲苯基)苯基膦]; (R,R)-1,2-二[(邻甲苯基)(苯基膦)]乙烷; (R,R)-邻甲苯基-DIPAMP

Database IDs

• CAS Number: 810667-85-7
• MDL Number: MFCD12198305; MFCD12198306
• PubChem SID: 162235406
• PubChem CID: 12160885

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.7472
• LogD (pH = 7.4): 7.7472
• Log P: 7.7472
• Molar Refractivity: 131.9152 cm^3
• Polarizability: 51.895588 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 86-90 °C; 87-91 °C
• Optical Rotation: [α]22/D +48, c = 1 in chloroform; [α]22/D -50.0, c = 1 in chloroform

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H413
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C28H28P2

DETAILS

Sigma Aldrich - 697818

Packaging
100, 500 mg in glass bottle
Legal Information
Sold in collaboration with Celtic Catalysts for research purposes only.

Sigma Aldrich - 697826

Packaging
100, 500 mg in glass bottle
Legal Information
Sold in collaboration with Celtic Catalysts for research purposes only.