tris(dimethyl(phenyl)phosphane); trichlororhenium

• ChemBase ID: 145435
• Molecular Formular: C24H33Cl3P3Re
• Molecular Mass: 707.006103
• Monoisotopic Mass: 706.04182199
• SMILES: CP(C)c1ccccc1.CP(C)c1ccccc1.CP(C)c1ccccc1.Cl[Re](Cl)Cl
• Canonical SMILES: CP(c1ccccc1)C.CP(c1ccccc1)C.CP(c1ccccc1)C.Cl[Re](Cl)Cl
• InChI: InChI=1S/3C8H11P.3ClH.Re/c3*1-9(2)8-6-4-3-5-7-8;;;;/h3*3-7H,1-2H3;3*1H;/q;;;;;;+3/p-3
• InChIKey: OHJDEAZOHPPHHA-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(dimethyl(phenyl)phosphane); trichlororhenium
• IUPAC Traditional name: tris(dimethylphenylphosphine); rhenium trichloride
• Synonyms: NSC 168790; Mer-Trichlorotris(dimethylphenylphosphine)rhenium(III); 经-三氯三(二甲基苯基膦)铼(III)

Database IDs

• CAS Number: 14710-16-8
• MDL Number: MFCD00192515
• PubChem SID: 162239641; 24864340
• PubChem CID: 6102111

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.194198
• LogD (pH = 7.4): 2.3848538
• Log P: 2.3882
• Molar Refractivity: 41.7725 cm^3
• Polarizability: 16.763628 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 165 °C (dec.)(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%
• Linear Formula: [C6H5P(CH3)2]3ReCl3

DETAILS

Sigma Aldrich - 390712

Packaging
1 g in glass bottle
Application
Reactant for synthesis of:
• Hydridobis(ethylene) and hydrido dinitrogen complexes of rhenium1
• Polyhedral rhenaborane complexes2