tris(naphthalen-1-yl)phosphane

• ChemBase ID: 111664
• Molecular Formular: C30H21P
• Molecular Mass: 412.461501
• Monoisotopic Mass: 412.1380873
• SMILES: c1cc2cccc(P(c3c4ccccc4ccc3)c3c4ccccc4ccc3)c2cc1
• Canonical SMILES: c1ccc2c(c1)c(ccc2)P(c1cccc2c1cccc2)c1cccc2c1cccc2
• InChI: InChI=1S/C30H21P/c1-4-16-25-22(10-1)13-7-19-28(25)31(29-20-8-14-23-11-2-5-17-26(23)29)30-21-9-15-24-12-3-6-18-27(24)30/h1-21H
• InChIKey: DMEUUKUNSVFYAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(naphthalen-1-yl)phosphane
• IUPAC Traditional name: tris(naphthalen-1-yl)phosphane
• Synonyms: Tris(1-naphthyl)phosphine; TRI-1-NAPHTHYLPHOSPHINE; P(1-nap)3; Tri-1-naphthylphosphine; Tri(1-naphthyl)phosphine; 三(1-萘基)膦

Database IDs

• CAS Number: 3411-48-1
• MDL Number: MFCD00046400
• PubChem SID: 162096860; 24884894
• PubChem CID: 271443

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.1132
• LogD (pH = 7.4): 8.1132
• Log P: 8.1132
• Molar Refractivity: 130.9735 cm^3
• Polarizability: 55.29223 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 261-265 °C; 265-268°C

Safety Information

• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22; 36/37/38
• Safety Statements: 26
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: (C10H7)3P

DETAILS

MP Biomedicals - 05220293

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 667218

Packaging
1, 5 g in glass bottle