(4-phenylphenyl)sodium

• ChemBase ID: 139538
• Molecular Formular: C12H9Na
• Molecular Mass: 176.18963
• Monoisotopic Mass: 176.06019457
• SMILES: c1ccc(cc1)c1ccc(cc1)[Na]
• Canonical SMILES: [Na]c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C12H9.Na/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1,3-10H
• InChIKey: UUNVZHGYJSUMDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-phenylphenyl)sodium
• IUPAC Traditional name: (4-phenylphenyl)sodium
• Synonyms: Sodium biphenyl complex; Biphenyl sodium complex solution; Biphenyl sodium complex solution; Sodium biphenyl complex; 联苯钠; 联苯钠络合物 溶液; 联苯钠络合物 溶液; 联苯钠

Database IDs

• CAS Number: 5137-46-2
• MDL Number: MFCD00013182
• Beilstein Number: 3989646
• PubChem SID: 24848657; 24856735; 24873357; 162233786
• PubChem CID: 5045331

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.4866
• LogD (pH = 7.4): 3.4866
• Log P: 3.4866
• Molar Refractivity: 50.6105 cm^3
• Polarizability: 23.117447 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 129.2 °F; 54 °C
• Density: 1.1 g/mL at 25 °C
• Vapor Density: 5.6 (vs air)

Safety Information

• European Hazard Symbols: Corrosive (C); Nature polluting (N)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-14-34-50/53
• Safety Statements: 26-36/37/39-45-61; 8-26-36/37/39-45-57-60
• GHS Pictograms: GHS02; GHS05; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314-H410
• GHS Precautionary statements: P273-P280-P305 + P351 + P338-P310-P501
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3
• Supplemental Hazard Statements: Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5-1.5 M in diethylene glycol diethyl ether; 0.7 M±0.2 M in diethylene glycol diethyl ether; in 2-ethoxyethyl ether
• Grade: technical
• Packaging: pk of 20 × 15 mL
• Shelf Life: (limited shelf life)
• Linear Formula: C6H5C6H5 · Na

DETAILS

Sigma Aldrich - 50342

Physical form
may contain solid

Sigma Aldrich - 14446

Other Notes
Reagent for the quantitative release of covalently bound halogens for analytic determination 1,2; Degradation of pesticides3
Packaging
15 mL in poly bottle