2-(diphenylphosphanyl)pyridine

• ChemBase ID: 127128
• Molecular Formular: C17H14NP
• Molecular Mass: 263.273521
• Monoisotopic Mass: 263.08638608
• SMILES: c1(P(c2ccccc2)c2ccccc2)ncccc1
• Canonical SMILES: c1ccc(cc1)P(c1ccccn1)c1ccccc1
• InChI: InChI=1S/C17H14NP/c1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17/h1-14H
• InChIKey: SVABQOITNJTVNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(diphenylphosphanyl)pyridine
• IUPAC Traditional name: diphenyl-2-pyridylphosphine
• Synonyms: 2-(diphenylphosphino)-pyridine; Diphenyl-2-pyridylphosphine; 2-(Diphenylphosphino)pyridine; 2-Pyridyldiphenylphosphine; Diphenyl(2-pyridinyl)phosphine; Diphenyl-2-pyridylphosphine; 二苯基-2-吡啶膦

Database IDs

• CAS Number: 37943-90-1
• MDL Number: MFCD00192108
• PubChem SID: 162221450; 24864153
• PubChem CID: 621893; 24864153
• Wikipedia Title: Diphenyl-2-pyridylphosphine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.4777465
• LogD (pH = 7.4): 4.4931006
• Log P: 4.4933
• Molar Refractivity: 79.7795 cm^3
• Polarizability: 31.393484 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: white crystal
• Melting Point: 82-84 °C (dec.)(lit.); 82-84°C; 85°C
• Boiling Point: 163°C
• Ligand For: Carbonatations; Dehydrogenation; Hydration Reaction; Mitsunobu Reaction; Stannylation

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• Main Hazard: GHS07 Acute toxicity (oral, dermal, inhalation), category 4 Skin irritation, category 2 Eye irritation, category 2 Skin sensitization, category 1 Specific Target Organ Toxicity – Single exposure, category 3
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H413
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%; 98%
• Impurities: 1-3% 2-bromopyridine
• Empirical Formula (Hill Notation): C17H14NP

DETAILS

Sigma Aldrich - 392960

Application
Ligand for metal-catalyzed carbonylations, hydration, dehydrogenative coupling, carbostannylation, distannylation, and silylation; reagent for Mitsunobu reaction.
Packaging
5 g in glass bottle