trichloro(2H5)phenylsilane

• ChemBase ID: 135041
• Molecular Formular: C6H5Cl3Si
• Molecular Mass: 211.5484
• Monoisotopic Mass: 209.92260973
• SMILES: c1ccc(cc1)[Si](Cl)(Cl)Cl
• Canonical SMILES: Cl[Si](c1ccccc1)(Cl)Cl
• InChI: InChI=1S/C6H5Cl3Si/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
• InChIKey: ORVMIVQULIKXCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro(^2H₅)phenylsilane
• IUPAC Traditional name: trichloro(^2H₅)phenylsilane
• Synonyms: Phenyltrichlorosilane-d5; 苯基三氯硅烷-d5

Database IDs

• CAS Number: 59620-12-1
• MDL Number: MFCD04118259
• PubChem SID: 162229316
• PubChem CID: 11984399

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5507
• LogD (pH = 7.4): 3.5507
• Log P: 3.5507
• Molar Refractivity: 43.8832 cm^3
• Polarizability: 18.844202 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 195.8 °F; 91 °C
• Mass Shift: M+5

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 1804
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 21/22-23-34
• Safety Statements: 23-26-36/37/39-45
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H314-H331
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P310
• RID/ADR: UN 1804 8/PG 2

Product Information

• Isotopic Purity: 99 atom % D
• Mol. Weight: mol wt 216.53 by atom % calculation
• Linear Formula: C6D5SiCl3

DETAILS

Sigma Aldrich - 614440

Packaging
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.