(4-ethoxyphenyl)[3-(4-fluoro-3-phenoxyphenyl)propyl]dimethylsilane

• ChemBase ID: 129455
• Molecular Formular: C25H29FO2Si
• Molecular Mass: 408.5804632
• Monoisotopic Mass: 408.19208492
• SMILES: Fc1ccc(cc1Oc1ccccc1)CCC[Si](c1ccc(OCC)cc1)(C)C
• Canonical SMILES: CCOc1ccc(cc1)[Si](CCCc1ccc(c(c1)Oc1ccccc1)F)(C)C
• InChI: InChI=1S/C25H29FO2Si/c1-4-27-21-13-15-23(16-14-21)29(2,3)18-8-9-20-12-17-24(26)25(19-20)28-22-10-6-5-7-11-22/h5-7,10-17,19H,4,8-9,18H2,1-3H3
• InChIKey: HPYNBECUCCGGPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-ethoxyphenyl)[3-(4-fluoro-3-phenoxyphenyl)propyl]dimethylsilane
• IUPAC Traditional name: silafluofen
• Synonyms: Eflusilanat; Silonen; Silafluofen; Silafluofen; 氟硅菊酯

Database IDs

• CAS Number: 105024-66-6
• MDL Number: MFCD09033151
• PubChem SID: 24869671; 162223749
• PubChem CID: 92430
• CHEBI ID: 39393
• CHEMBL: 493481
• Chemspider ID: 83448
• Wikipedia Title: Silafluofen

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.6066
• LogD (pH = 7.4): 7.6066
• Log P: 7.6066
• Molar Refractivity: 113.8084 cm^3
• Polarizability: 46.330242 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 100 °C; 212 °F

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 3082
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 60-50/53
• Safety Statements: 53-45-60-61
• GHS Pictograms: GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H360-H410
• GHS Precautionary statements: P201-P273-P308 + P313-P501
• 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; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• RID/ADR: UN 3082 9/PG 3

Product Information

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C25H29FO2Si

DETAILS

Sigma Aldrich - 31574

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 46026

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH