biphenylene

• ChemBase ID: 76468
• Molecular Formular: C12H8
• Molecular Mass: 152.19192
• Monoisotopic Mass: 152.06260026
• SMILES: c1ccc2c(c1)c1c2cccc1
• Canonical SMILES: c1ccc2c(c1)c1c2cccc1
• InChI: InChI=1S/C12H8/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-8H
• InChIKey: IFVTZJHWGZSXFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: biphenylene
• IUPAC Traditional name: diphenylene
• Synonyms: Biphenylene; Biphenylene; Diphenylene; 亚联苯; 联苯烯

Database IDs

• CAS Number: 259-79-0
• MDL Number: MFCD00001110
• PubChem SID: 162041372; 24859285
• PubChem CID: 9214
• CHEBI ID: 33079
• Chemspider ID: 8859
• Wikipedia Title: Biphenylene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2944508
• LogD (pH = 7.4): 3.2944508
• Log P: 3.2944508
• Molar Refractivity: 50.2724 cm^3
• Polarizability: 22.321188 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: solid
• Melting Point: 109 - 111 °C; 110°C; 113-114 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%; 99%
• Empirical Formula (Hill Notation): C12H8

DETAILS

MP Biomedicals - 05220570

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 321958

Packaging
100 mg in glass bottle