[(2R,3R)-3-(diphenylphosphanyl)butan-2-yl]diphenylphosphane

• ChemBase ID: 137250
• Molecular Formular: C28H28P2
• Molecular Mass: 426.469442
• Monoisotopic Mass: 426.16662416
• SMILES: C[C@H]([C@@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
• Canonical SMILES: C[C@@H](P(c1ccccc1)c1ccccc1)[C@H](P(c1ccccc1)c1ccccc1)C
• InChI: InChI=1S/C28H28P2/c1-23(29(25-15-7-3-8-16-25)26-17-9-4-10-18-26)24(2)30(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-24H,1-2H3/t23-,24-/m1/s1
• InChIKey: FWXAUDSWDBGCMN-DNQXCXABSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2R,3R)-3-(diphenylphosphanyl)butan-2-yl]diphenylphosphane
• IUPAC Traditional name: [(2R,3R)-3-(diphenylphosphanyl)butan-2-yl]diphenylphosphane
• Synonyms: (2R,3R)-(+)-Bis(diphenylphosphino)butane; (R,R)-Chiraphos; (2R,3R)-(+)-2,3-Bis(diphenylphosphino)butane; (2R,3R)-(+)-二(二苯基膦)丁烷; (R,R)-手性膦; (2R,3R)-(+)-2,3-双(二苯基膦)丁烷

Database IDs

• CAS Number: 74839-84-2
• MDL Number: MFCD00075403
• PubChem SID: 162231515
• PubChem CID: 2724948

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.5686
• LogD (pH = 7.4): 7.5686
• Log P: 7.5686
• Molar Refractivity: 130.6148 cm^3
• Polarizability: 52.05793 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 104-108 °C; 104-109°C

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280G-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C28H28P2

DETAILS

Sigma Aldrich - 725102

Packaging
1 g in glass bottle
250 mg in glass bottle