4-(3-chloropropyl)-2,2,6,6-tetramethyl-4-[(trimethylsilyl)oxy]-3,5-dioxa-2,4,6-trisilaheptane

• ChemBase ID: 152000
• Molecular Formular: C12H33ClO3Si4
• Molecular Mass: 373.18362
• Monoisotopic Mass: 372.11952872
• SMILES: C[Si](C)(C)O[Si](CCCCl)(O[Si](C)(C)C)O[Si](C)(C)C
• Canonical SMILES: ClCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C12H33ClO3Si4/c1-17(2,3)14-20(12-10-11-13,15-18(4,5)6)16-19(7,8)9/h10-12H2,1-9H3
• InChIKey: MMWCHSBIWFYBBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-chloropropyl)-2,2,6,6-tetramethyl-4-[(trimethylsilyl)oxy]-3,5-dioxa-2,4,6-trisilaheptane
• IUPAC Traditional name: 4-(3-chloropropyl)-2,2,6,6-tetramethyl-4-[(trimethylsilyl)oxy]-3,5-dioxa-2,4,6-trisilaheptane
• Synonyms: (3-Chloropropyl)tris(trimethylsiloxy)silane; (3-氯丙基)三(三甲基硅氧基)硅烷

Database IDs

• CAS Number: 18077-31-1
• EC Number: 241-985-9
• MDL Number: MFCD00054781
• Beilstein Number: 1957472
• PubChem SID: 24855750; 162246146
• PubChem CID: 2757891

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.7305
• LogD (pH = 7.4): 5.7305
• Log P: 5.7305
• Molar Refractivity: 75.7293 cm^3
• Polarizability: 38.516994 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 181 °C/100 mmHg(lit.)
• Flash Point: 185 °F; 85 °C
• Density: 0.927 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.413

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0%
• Empirical Formula (Hill Notation): C12H33ClO3Si4

DETAILS

Sigma Aldrich - 26255

Packaging
5 mL in glass bottle