1,2-diphenylbenzene

• ChemBase ID: 109965
• Molecular Formular: C18H14
• Molecular Mass: 230.30376
• Monoisotopic Mass: 230.10955045
• SMILES: c1ccc(cc1)c1ccccc1c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1ccccc1c1ccccc1
• InChI: InChI=1S/C18H14/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h1-14H
• InChIKey: OIAQMFOKAXHPNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-diphenylbenzene
• IUPAC Traditional name: O-terphenyl
• Synonyms: 1,2-Diphenylbenzene; o-Terphenyl; o-DIPHENYLBENZENE; 1,1':2',1''-Terphenyl; 1,2-三联苯; 1,2-二苯基苯; 邻二苯基苯

Database IDs

• CAS Number: 84-15-1
• EC Number: 247-477-3; 201-517-6
• MDL Number: MFCD00003055
• Beilstein Number: 1908446
• PubChem SID: 24900080; 24869417; 24867984; 162095536; 24888678
• PubChem CID: 6766

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.2676964
• LogD (pH = 7.4): 5.2676964
• Log P: 5.2676964
• Molar Refractivity: 76.3304 cm^3
• Polarizability: 32.695145 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 56-58°C; 56-59 °C; 56-59 °C(lit.)
• Boiling Point: 332°C; 337 °C(lit.)
• Flash Point: 113 °C; 163°C(325°F); 235.4 °F
• Density: 1.100

Safety Information

• RTECS: WZ6472000
• European Hazard Symbols: Nature polluting (N); X; Harmful (Xn)
• UN Number: 3077; UN3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3; III
• Risk Statements: 22-36/37/38-50/53
• Safety Statements: 26-36/37-57-60; 26-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335-H400; H400-H410-H302-H315-H319-H335
• GHS Precautionary statements: P261-P273-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: ≥99.0% (GC); 95+%; 98%; 99%
• Grade: analytical standard; analytical standard, for environmental analysis; puriss.
• Packaging: ampule of 500 mg
• Linear Formula: C6H5C6H4C6H5

DETAILS

MP Biomedicals - 05213219

MP Biomedicals Rare Chemical collection

Sigma Aldrich - T2800

Packaging
25, 100 g in poly bottle
Protocols & Applications
Separation of Aromatic Compounds Using Ascentis RP-Amide
Separation of Aromatic Compounds Using Ascentis C18