diphenylsilanediol

• ChemBase ID: 150443
• Molecular Formular: C12H12O2Si
• Molecular Mass: 216.30798
• Monoisotopic Mass: 216.06065616
• SMILES: c1ccc(cc1)[Si](c1ccccc1)(O)O
• Canonical SMILES: O[Si](c1ccccc1)(c1ccccc1)O
• InChI: InChI=1S/C12H12O2Si/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H
• InChIKey: OLLFKUHHDPMQFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenylsilanediol
• IUPAC Traditional name: diphenylsilanediol
• Synonyms: Dihydroxydiphenylsilane; Diphenylsilanediol; 二苯基硅二醇; 二苯基硅烷二醇

Database IDs

• CAS Number: 947-42-2
• EC Number: 213-427-4
• MDL Number: MFCD00002101
• Beilstein Number: 2523445
• PubChem SID: 24867114; 162244604; 24893637
• PubChem CID: 13693

CALCULATED PROPERTIES

• Acid pKa: 9.125859
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.5988977
• LogD (pH = 7.4): 2.590955
• Log P: 2.599
• Molar Refractivity: 56.0778 cm^3
• Polarizability: 24.080994 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144-148 °C; ca 150°C dec.
• Flash Point: 127.4 °F; 53 °C
• Vapor Density: >1 (vs air)

Safety Information

• RTECS: VV3640000
• European Hazard Symbols: Flammable (F)
• UN Number: 1325; UN1325
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2; III
• Risk Statements: 10; 11
• Safety Statements: 16
• TSCA Listed: 是
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H228
• GHS Precautionary statements: P210
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1325 4.1/PG 2

Product Information

• Purity: ≥97.0% (HPLC); 95%; 98%
• Grade: purum
• Linear Formula: (C6H5)2Si(OH)2

DETAILS

Sigma Aldrich - D213705

Packaging
100 g in glass bottle