1,3-diphenylbenzene

• ChemBase ID: 144922
• Molecular Formular: C18H14
• Molecular Mass: 230.30376
• Monoisotopic Mass: 230.10955045
• SMILES: c1ccc(cc1)c1cccc(c1)c1ccccc1
• Canonical SMILES: c1cc(cc(c1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H14/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h1-14H
• InChIKey: YJTKZCDBKVTVBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-diphenylbenzene
• IUPAC Traditional name: m-terphenyl
• Synonyms: 1,3-Diphenylbenzene; m-Terphenyl; 1,1':3',1''-Terphenyl; 1,3-二苯基苯; 间三联苯

Database IDs

• CAS Number: 92-06-8
• EC Number: 202-122-1
• MDL Number: MFCD00003059
• Beilstein Number: 1864778
• PubChem SID: 24900097; 24888679; 162239134; 24869418
• PubChem CID: 7076

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: 32.692757 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 84-88 °C(lit.); 86-88°C
• Boiling Point: 363°C; 379 °C(lit.)
• Flash Point: 191°C(375°F)
• Density: 1.200

Safety Information

• RTECS: WZ6470000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 36/37/38; 36/37/38-50/53
• Safety Statements: 26-36-60-61; 26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H303; H315-H319-H335-H400
• 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+%; 99%
• Grade: analytical standard, for environmental analysis; purum
• Linear Formula: C6H5C6H4C6H5

DETAILS

Sigma Aldrich - T3009

Packaging
100 g in poly bottle