trichloro(cyclohexyl)silane

• ChemBase ID: 151081
• Molecular Formular: C6H11Cl3Si
• Molecular Mass: 217.59604
• Monoisotopic Mass: 215.96955992
• SMILES: C1CCC(CC1)[Si](Cl)(Cl)Cl
• Canonical SMILES: Cl[Si](C1CCCCC1)(Cl)Cl
• InChI: InChI=1S/C6H11Cl3Si/c7-10(8,9)6-4-2-1-3-5-6/h6H,1-5H2
• InChIKey: SIPHWXREAZVVNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro(cyclohexyl)silane
• IUPAC Traditional name: silane, trichlorocyclohexyl-
• Synonyms: Cyclohexyltrichlorosilane; Trichlorocyclohexylsilane; Trichloro(cyclohexyl)silane; Trichlorocyclohexylsilane; Cyclohexyltrichlorosilane; 环己基三氯硅烷; 三氯环己基硅烷; 环己基三氯硅烷

Database IDs

• CAS Number: 98-12-4
• EC Number: 202-639-2
• MDL Number: MFCD00021280
• Beilstein Number: 2935257
• PubChem SID: 24864356; 162245239
• PubChem CID: 60987

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.4845
• LogD (pH = 7.4): 3.4845
• Log P: 3.4845
• Molar Refractivity: 44.996 cm^3
• Polarizability: 19.581806 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 90 °C/10 mmHg(lit.); 90-91°C/10mm
• Flash Point: 201.2 °F; 79°C(174°F); 94 °C
• Density: 1.232; 1.232 g/mL at 25 °C(lit.)
• Refractive Index: 1.4790; n20/D 1.478(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 1763; UN1763
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 14-34
• Safety Statements: 26-28-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318-H227
• GHS Precautionary statements: P210-P260-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 1763 8/PG 2

Product Information

• Purity: 95+%; 97+%; 98%
• Empirical Formula (Hill Notation): C6H11Cl3Si

DETAILS

Sigma Aldrich - 391069

Packaging
5 mL in glass bottle