dichloro(phenyl)silane

• ChemBase ID: 139552
• Molecular Formular: C6H6Cl2Si
• Molecular Mass: 177.10334
• Monoisotopic Mass: 175.96158208
• SMILES: c1ccc(cc1)[SiH](Cl)Cl
• Canonical SMILES: Cl[SiH](c1ccccc1)Cl
• InChI: InChI=1S/C6H6Cl2Si/c7-9(8)6-4-2-1-3-5-6/h1-5,9H
• InChIKey: VIRVTHOOZABTPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro(phenyl)silane
• IUPAC Traditional name: dichloro-phenyl silane
• Synonyms: Phenyldichlorosilane; Dichlorophenylsilane; Dichloro(phenyl)silane; 二氯苯基硅烷; 苯基二氯硅烷; 二氯苯基硅烷

Database IDs

• CAS Number: 1631-84-1
• EC Number: 216-635-3
• MDL Number: MFCD00039296
• Beilstein Number: 2433865
• PubChem SID: 162233800; 24881723
• PubChem CID: 6327324

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0122
• LogD (pH = 7.4): 3.0122
• Log P: 3.0122
• Molar Refractivity: 38.5469 cm^3
• Polarizability: 16.917816 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 181°C; 65-66 °C/10 mmHg(lit.)
• Flash Point: 118.4 °F; 48 °C; 48°C(118°F)
• Density: 1.204 g/mL at 25 °C(lit.); 1.212
• Refractive Index: 1.5230; n20/D 1.525(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 2986; UN2986
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 10-14-34; 10-34
• Safety Statements: 23-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314; H314-H318-H226
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2986 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: ≥98%; 95+%; 96%
• Grade: purum
• Linear Formula: Cl2SiHC6H5

DETAILS

Sigma Aldrich - 597864

Packaging
10, 50 g in glass bottle