1,4-diethenylbenzene

• ChemBase ID: 144720
• Molecular Formular: C10H10
• Molecular Mass: 130.1864
• Monoisotopic Mass: 130.07825032
• SMILES: C=Cc1ccc(cc1)C=C
• Canonical SMILES: C=Cc1ccc(cc1)C=C
• InChI: InChI=1S/C10H10/c1-3-9-5-7-10(4-2)8-6-9/h3-8H,1-2H2
• InChIKey: WEERVPDNCOGWJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-diethenylbenzene
• IUPAC Traditional name: divinylbenzene
• Synonyms: p-Divinylbenzene; 对二乙烯苯

Database IDs

• CAS Number: 105-06-6
• MDL Number: MFCD00008622
• PubChem SID: 24878089; 162238932
• PubChem CID: 66041

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.44665
• LogD (pH = 7.4): 3.44665
• Log P: 3.44665
• Molar Refractivity: 45.4306 cm^3
• Polarizability: 17.497032 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 156.2 °F; 69 °C
• Density: 0.914 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.5470(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38-43
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H317-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Storage Temperature: -70°C

Product Information

• Purity: 85%
• Compostion: meta isomer, ~10 wt. %
• Contains: 3000 ppm hydroquinone as stabilizer
• Shipped in: dry ice
• Empirical Formula (Hill Notation): C10H10