(1,4,4-triphenylbuta-1,3-dien-1-yl)benzene

• ChemBase ID: 92195
• Molecular Formular: C28H22
• Molecular Mass: 358.47428
• Monoisotopic Mass: 358.1721507
• SMILES: C(=C(\c1ccccc1)/c1ccccc1)/C=C(/c1ccccc1)\c1ccccc1
• Canonical SMILES: c1ccc(cc1)/C(=C/C=C(/c1ccccc1)\c1ccccc1)/c1ccccc1
• InChI: InChI=1S/C28H22/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H
• InChIKey: KLCLIOISYBHYDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,4,4-triphenylbuta-1,3-dien-1-yl)benzene
• IUPAC Traditional name: tetraphenyl butadiene
• Synonyms: TPB; 1,1,4,4-Tetraphenyl-1,3-butadiene; 1,1,4,4-TETRAPHENYLBUTADIENE; 1,1',1'',1'''-(Buta-1,3-diene-1,1,4,4-tetrayl)tetrabenzene; 1,1,4,4-Tetraphenylbuta-1,3-diene 98%; Tetraphenyl butadiene; 1,1,4,4-四苯基-1,3-丁二烯

Database IDs

• CAS Number: 1450-63-1
• EC Number: CY9040630; 215-914-7
• MDL Number: MFCD00004766
• Beilstein Number: 1914229
• PubChem SID: 24850677; 162078893
• PubChem CID: 74060
• Chemspider ID: 66678
• Wikipedia Title: Tetraphenyl_butadiene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.7067
• LogD (pH = 7.4): 7.7067
• Log P: 7.7067
• Molar Refractivity: 138.9368 cm^3
• Polarizability: 46.420776 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: soluble in ethanol, benzene, chloroform, acetic acid
• Apperance: white to yellow white needles
• Melting Point: 196-199°C; 197-203 °C; 202-204°C; 203.5°C; 207-209 °C(lit.); 207-209°C
• Boiling Point: 556.1°C @ 760mmHg
• Flash Point: 289°C
• Density: 1.079g/cm3

Safety Information

• Storage Warning: Irritant
• RTECS: CY9040630
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38; R36/37/38
• Safety Statements: 26-36; 26-37; S26 S36
• TSCA Listed: 是
• EU Index: Xi (Irritant)
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• NFPA704:
  

  0

  2

  0
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99%; ≥99.0% (HPLC); 99%
• Grade: puriss.
• Suitability: suitable for scintillation
• Linear Formula: (C6H5)2C=CHCH=C(C6H5)2

DETAILS

MP Biomedicals - 05219217

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - OR8656

For scintillation work

Sigma Aldrich - T4250

Application
作为闪烁试剂。

Sigma Aldrich - 185213

Packaging
5 g in glass bottle