1-(2H5)phenyl(2H5)benzene

• ChemBase ID: 145670
• Molecular Formular: C12H10
• Molecular Mass: 154.2078
• Monoisotopic Mass: 154.07825032
• SMILES: c1ccc(cc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H
• InChIKey: ZUOUZKKEUPVFJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(^2H₅)phenyl(^2H₅)benzene
• IUPAC Traditional name: 1-(^2H₅)phenyl(^2H₅)benzene
• Synonyms: Diphenyl-d10; Biphenyl-d10; 联二苯-d10

Database IDs

• CAS Number: 1486-01-7
• MDL Number: MFCD00074892
• PubChem SID: 24859820; 162239874
• PubChem CID: 137030

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6204712
• LogD (pH = 7.4): 3.6204712
• Log P: 3.6204712
• Molar Refractivity: 51.1942 cm^3
• Polarizability: 21.587803 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 70-72 °C(lit.)
• Flash Point: 110 °C; 230 °F
• Mass Shift: M+10

Safety Information

• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 36/37/38-50/53
• Safety Statements: 23-60-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H410
• GHS Precautionary statements: P261-P273-P305 + P351 + P338-P501
• RID/ADR: UN 3077 9/PG 3

Product Information

• Isotopic Purity: 99 atom % D
• Mol. Weight: mol wt 164.17 by atom % calculation
• Linear Formula: C6D5-C6D5

DETAILS

Sigma Aldrich - 329894

Packaging
1 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.