phenylsilane

• ChemBase ID: 128935
• Molecular Formular: C6H8Si
• Molecular Mass: 108.21322
• Monoisotopic Mass: 108.03952679
• SMILES: c1ccccc1[SiH3]
• Canonical SMILES: [SiH3]c1ccccc1
• InChI: InChI=1S/C6H8Si/c7-6-4-2-1-3-5-6/h1-5H,7H3
• InChIKey: PARWUHTVGZSQPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenylsilane
• IUPAC Traditional name: silane, phenyl-
• Synonyms: Phenylsilane; Silylbenzene; Phenylsilane; 苯硅烷

Database IDs

• CAS Number: 694-53-1
• EC Number: 211-772-5
• MDL Number: MFCD00013478
• Beilstein Number: 2935169
• PubChem SID: 162223237; 24887414; 24860291
• PubChem CID: 12752; 6327628
• Chemspider ID: 12228
• Wikipedia Title: Phenylsilane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.6692
• LogD (pH = 7.4): 0.6692
• Log P: 0.6692
• Molar Refractivity: 27.8743 cm^3
• Polarizability: 13.29436 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Reactive in water
• Apperance: Colorless liquid
• Boiling Point: 119 - 121°C; 120 °C(lit.); 120°C
• Flash Point: 46.4 °F; 7°C(45°F); 8 °C
• Density: 0.877 g/mL at 25 °C(lit.); 0.878 g/cm3; 0.88
• Refractive Index: n20/D 1.510(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: VV4825000
• European Hazard Symbols: Flammable (F); X; Harmful (Xn)
• UN Number: 3399; UN3399
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 2; II
• Risk Statements: 11-14/15-20/22-36/37/38; 11-15-20/22-36/37/38
• Safety Statements: 16-43; 7/8-16-26-36/37-43
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H261-H302-H315-H319-H332-H335; H225-H261-H302-H332-H315-H319-H335
• GHS Precautionary statements: P210-P231 + P232-P261-P305 + P351 + P338-P422; P210-P280H-P305+P351+P338-P370+P378I-P402+P404
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3399 4.3/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: ≥97.0% (GC); 97%
• Grade: purum
• Linear Formula: C6H5SiH3

DETAILS

Sigma Aldrich - 335150

Packaging
1, 5, 25 g in glass bottle

Sigma Aldrich - 79174

Other Notes
Reducing agent in radical reactions1,2; Starting material for the preparation of diiodosilane, DIS, a novel reagent for the cleavage of ethers and iodination of alcohols3