7'-(diphenylphosphanyl)-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-7-yldiphenylphosphane

• ChemBase ID: 141754
• Molecular Formular: C41H34P2
• Molecular Mass: 588.656182
• Monoisotopic Mass: 588.21357435
• SMILES: c1ccc(cc1)P(c1ccccc1)c1cccc2c1C1(CC2)CCc2c1c(ccc2)P(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)P(c1cccc2c1C1(CC2)CCc2c1c(ccc2)P(c1ccccc1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C41H34P2/c1-5-17-33(18-6-1)42(34-19-7-2-8-20-34)37-25-13-15-31-27-29-41(39(31)37)30-28-32-16-14-26-38(40(32)41)43(35-21-9-3-10-22-35)36-23-11-4-12-24-36/h1-26H,27-30H2
• InChIKey: DKZNVWNOOLQCMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7'-(diphenylphosphanyl)-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-7-yldiphenylphosphane
• IUPAC Traditional name: 7'-(diphenylphosphanyl)-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-7-yldiphenylphosphane
• Synonyms: (S)-(-)-7,7′-Bis(diphenylphosphino)-2,2′,3,3′-tetrahydro-1,1′-spirobiindene; (S)-7,7′-Bis(diphenylphosphino)-1,1′-spirobiindane; (S)-SDP; (R)-(+)-7,7′-Bis(diphenylphosphino)-2,2′,3,3′-tetrahydro-1,1′-spirobiindene; (R)-7,7′-Bis(diphenylphosphino)-1,1′-spirobiindane; (R)-SDP; (S)-(-)-7,7′-双(二苯基膦基)-2,2′,3,3′-四氢-1,1-螺双茚; (S)-7,7'-双(二苯基磷酰)-1,1'-螺二氢茚; (R)-(+)-7,7′-双(二苯基膦基)-2,2′,3,3′-四氢-1,1-螺双茚; (R)-7,7'-双(二苯基膦基)-1,1'-螺二氢茚

Database IDs

• CAS Number: 528521-86-0; 917377-74-3
• MDL Number: MFCD08459344
• PubChem SID: 162235988
• PubChem CID: 12086160

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 10.9374
• LogD (pH = 7.4): 10.9374
• Log P: 10.9374
• Molar Refractivity: 192.9211 cm^3
• Polarizability: 71.43035 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 198-203 °C; 199-204 °C
• Optical Rotation: [α]22/D +184°, c = 1 in chloroform; [α]22/D -191°, c = 1 in chloroform

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C41H34P2

DETAILS

Sigma Aldrich - 700746

Packaging
50 mg in glass bottle

Sigma Aldrich - 700754

Packaging
50 mg in glass bottle