naphthalen-1-yl({2-[naphthalen-1-yl(phenyl)phosphanyl]ethyl})phenylphosphane

• ChemBase ID: 141657
• Molecular Formular: C34H28P2
• Molecular Mass: 498.533642
• Monoisotopic Mass: 498.16662416
• SMILES: c1ccc(cc1)P(CCP(c1ccccc1)c1cccc2c1cccc2)c1cccc2c1cccc2
• Canonical SMILES: c1ccc(cc1)P(c1cccc2c1cccc2)CCP(c1cccc2c1cccc2)c1ccccc1
• InChI: InChI=1S/C34H28P2/c1-3-17-29(18-4-1)35(33-23-11-15-27-13-7-9-21-31(27)33)25-26-36(30-19-5-2-6-20-30)34-24-12-16-28-14-8-10-22-32(28)34/h1-24H,25-26H2
• InChIKey: AJLHFWYWUUCAAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalen-1-yl({2-[naphthalen-1-yl(phenyl)phosphanyl]ethyl})phenylphosphane
• IUPAC Traditional name: naphthalen-1-yl({2-[naphthalen-1-yl(phenyl)phosphanyl]ethyl})phenylphosphane
• Synonyms: (R,R)-1,2-Bis[α-naphthyl(phenylphosphino)]ethane; (R,R)-1,2-Ethanediylbis[(1-naphthyl)phenylphosphine]; (R,R)-1-Naphthyl-DIPAMP; (S,S)-1,2-Bis[α-naphthyl(phenylphosphino)]ethane; (S,S)-1,2-Ethanediylbis[(1-naphthyl)phenylphosphine]; (S,S)-1-Naphthyl-DIPAMP; (R,R)-1,2-双[α-萘基(苯基膦)]乙烷; (R,R)-1,2-乙烷二基双[(1-萘基)苯基膦]; (R,R)-1-萘基-DIPAMP; (S,S)-1,2-双[α-萘基(苯基膦)]乙烷; (S,S)-1,2-乙烷二基双[(1-萘基)苯基膦]

Database IDs

• MDL Number: MFCD12198317; MFCD12198318
• PubChem SID: 162235891
• PubChem CID: 57347705

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.8172
• LogD (pH = 7.4): 8.8172
• Log P: 8.8172
• Molar Refractivity: 154.7332 cm^3
• Polarizability: 63.60832 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 140-144 °C; 143-147 °C
• Optical Rotation: [α]22/D +33.0, c = 1 in acetone; [α]22/D -19.0, 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; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C34H28P2

DETAILS

Sigma Aldrich - 697788

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

Sigma Aldrich - 697796

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