chlorobis(naphthalen-1-yl)phosphane

• ChemBase ID: 296087
• Molecular Formular: C20H14ClP
• Molecular Mass: 320.751921
• Monoisotopic Mass: 320.05216476
• SMILES: c1ccc2c(c1)cccc2P(c1cccc2c1cccc2)Cl
• Canonical SMILES: ClP(c1cccc2c1cccc2)c1cccc2c1cccc2
• InChI: InChI=1S/C20H14ClP/c21-22(19-13-5-9-15-7-1-3-11-17(15)19)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
• InChIKey: ZHRMSAAMUUNWKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorobis(naphthalen-1-yl)phosphane
• IUPAC Traditional name: chlorobis(naphthalen-1-yl)phosphane
• Synonyms: Di(1-naphthyl)chlorophosphine; Chlorodi(1-naphthyl)phosphine; 二(1-萘基)氯化膦

Database IDs

• CAS Number: 36042-99-6
• EC Number: 000-000-0
• MDL Number: MFCD09753469
• PubChem SID: 180681618
• PubChem CID: 18705941

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.1433
• LogD (pH = 7.4): 6.1433
• Log P: 6.1433
• Molar Refractivity: 95.1853 cm^3
• Polarizability: 39.641216 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 154-157°C
• Boiling Point: 227-229°C/0.6mm

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3261
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 95%