2,6-dichloro-2,4,4,6-tetramethyl-3,5-dioxa-2,4,6-trisilaheptane

• ChemBase ID: 136929
• Molecular Formular: C6H18Cl2O2Si3
• Molecular Mass: 277.36842
• Monoisotopic Mass: 275.99916477
• SMILES: C[Si](C)(O[Si](C)(C)Cl)O[Si](C)(C)Cl
• Canonical SMILES: C[Si](O[Si](Cl)(C)C)(O[Si](Cl)(C)C)C
• InChI: InChI=1S/C6H18Cl2O2Si3/c1-11(2,7)9-13(5,6)10-12(3,4)8/h1-6H3
• InChIKey: GJIYNWRLGOMDEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-2,4,4,6-tetramethyl-3,5-dioxa-2,4,6-trisilaheptane
• IUPAC Traditional name: 2,6-dichloro-2,4,4,6-tetramethyl-3,5-dioxa-2,4,6-trisilaheptane
• Synonyms: 1,5-Dichloro-hexamethyltrisiloxane; 1,5-Dichloro-1,1,3,3,5,5-hexamethyltrisiloxane; 1,5-二氯六甲基三硅氧烷; 1,5-二氯-1,1,3,3,5,5-六甲基三硅氧烷

Database IDs

• CAS Number: 3582-71-6
• EC Number: 222-707-5
• MDL Number: MFCD00045147
• Beilstein Number: 1763185
• PubChem SID: 24868312; 162231196
• PubChem CID: 77131

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5726
• LogD (pH = 7.4): 1.5726
• Log P: 1.5726
• Molar Refractivity: 50.6472 cm^3
• Polarizability: 25.765644 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 184 °C(lit.)
• Flash Point: 168.8 °F; 76 °C
• Density: 1.018 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.405(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2987
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-28-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: 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 2987 8/PG 2

Product Information

• Purity: 90%
• Linear Formula: [ClSi(CH3)2O]2Si(CH3)2