2-(diphenylphosphanyl)benzaldehyde

• ChemBase ID: 125266
• Molecular Formular: C19H15OP
• Molecular Mass: 290.295561
• Monoisotopic Mass: 290.08605173
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1C=O
• Canonical SMILES: O=Cc1ccccc1P(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H15OP/c20-15-16-9-7-8-14-19(16)21(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-15H
• InChIKey: DRCPJRZHAJMWOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(diphenylphosphanyl)benzaldehyde
• IUPAC Traditional name: 2-(diphenylphosphanyl)benzaldehyde
• Synonyms: 2-Diphenylphosphinobenzaldehyde; (2-Formylphenyl)diphenylphosphine; o-(Diphenylphosphino)benzaldehyde; 2-(Diphenylphosphino)benzaldehyde; 2-(二苯基膦)苯甲醛

Database IDs

• CAS Number: 50777-76-9
• MDL Number: MFCD00013367
• PubChem SID: 162219616; 24859571
• PubChem CID: 2754316
• Wikipedia Title: 2-Diphenylphosphinobenzaldehyde

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.7821
• LogD (pH = 7.4): 4.7821
• Log P: 4.7821
• Molar Refractivity: 88.2069 cm^3
• Polarizability: 34.176792 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: yellow solid
• Melting Point: 112-115 °C(lit.); 118-119 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: (C6H5)2PC6H4CHO

DETAILS

Sigma Aldrich - 326208

Packaging
1 g in glass bottle