diphenyl(2H2)silane

• ChemBase ID: 145243
• Molecular Formular: C12H12Si
• Molecular Mass: 184.30918
• Monoisotopic Mass: 184.07082692
• SMILES: [SiH2](c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)[SiH2]c1ccccc1
• InChI: InChI=1S/C12H12Si/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H,13H2
• InChIKey: VDCSGNNYCFPWFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenyl(^2H₂)silane
• IUPAC Traditional name: diphenyl(^2H₂)silane
• Synonyms: Diphenyl(silane-d2); 二苯基(硅烷-d2)

Database IDs

• CAS Number: 17950-94-6
• MDL Number: MFCD01321367
• PubChem SID: 24871694; 162239451
• PubChem CID: 12399551

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.5974
• LogD (pH = 7.4): 2.5974
• Log P: 2.5974
• Molar Refractivity: 52.5486 cm^3
• Polarizability: 22.943794 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 95-97 °C/13 mmHg(lit.)
• Flash Point: 208.4 °F; 98 °C
• Density: 1.004 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.579(lit.)
• Mass Shift: M+2

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 38
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315

Product Information

• Isotopic Purity: 97 atom % D
• Mol. Weight: mol wt 186.26 by atom % calculation
• Linear Formula: (C6H5)2SiD2

DETAILS

Sigma Aldrich - 480568

Packaging
1 g in ampule
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.