1,4-diphenylbenzene

• ChemBase ID: 107726
• Molecular Formular: C18H14
• Molecular Mass: 230.30376
• Monoisotopic Mass: 230.10955045
• SMILES: c1ccc(cc1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H
• InChIKey: XJKSTNDFUHDPQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-diphenylbenzene
• IUPAC Traditional name: terphenyl
• Synonyms: PT; PTP; p-Terphenyl; p-DIPHENYLBENZENE; p-Terphenyl; 1,4-Diphenylbenzene; para-Diphenylbenzene; p-Diphenylbenzene; para-Triphenyl; p-Triphenyl; Terphenyl; 1,4-二苯基苯; 对三联苯

Database IDs

• CAS Number: 92-94-4
• EC Number: 202-205-2; 247-477-3
• MDL Number: MFCD00003061
• Beilstein Number: 1908447
• PubChem SID: 24888680; 24900116; 24867990; 24869419; 162094037; 24855583
• PubChem CID: 7115
• Wikipedia Title: Terphenyl

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: 32.691853 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Insoluble in water
• Apperance: White powder
• Melting Point: 212-213 °C(lit.); 212-214 °C; 212-214 °C; 212-213 °C; 212-215°C
• Boiling Point: 389 °C; 389 °C(lit.); 405°C
• Flash Point: 207 °C; 207°C(404°F); 404.6 °F
• Density: 1.23; 1.24 g/cm^3
• Vapor Density: 7.95 (vs air)
• Absorption Wavelength: λ: 277 nm Amax: ≥98.5%; λmax 278 nm
• Fluorescence: λex 286 nm; λem 343 nm in DMF

Safety Information

• RTECS: WZ6475000
• European Hazard Symbols: Nature polluting (N); 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; R36/37/38 R50/53
• Safety Statements: 26-37; 26-60-61; S26 S60 S61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• Main Hazard: Iritant (Xi)
• NFPA704:
  

  1

  2

  0
• GHS Hazard statements: H315-H319-H335; 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: ≥98.5% (HPLC); ≥99.5%; ≥99.5% (HPLC); 99+%
• Grade: analytical standard; analytical standard, for environmental analysis
• Packaging: ampule of 500 mg
• Suitability: suitable for scintillation
• λ: in ethanol
• Linear Formula: C6H5C6H4C6H5

DETAILS

MP Biomedicals - 05204754

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05206360

MP Biomedicals Rare Chemical collection

Sigma Aldrich - T3203

Packaging
1, 5 g in glass bottle
25, 100 g in poly bottle

Sigma Aldrich - 86470

Analysis Note
In addition to the emission maximum at 343 nm, there are lower maxima at 325 and 327 nm.
Packaging
50 g in glass bottle
Quantity
λmax. 277 nm, log ε 4.50

Sigma Aldrich - 257389

Application
Suitable as laser dye
Packaging
1, 5 g in glass bottle