tert-butyl(4-chlorobutoxy)dimethylsilane

• ChemBase ID: 149167
• Molecular Formular: C10H23ClOSi
• Molecular Mass: 222.82752
• Monoisotopic Mass: 222.12066957
• SMILES: CC(C)(C)[Si](C)(C)OCCCCCl
• Canonical SMILES: ClCCCCO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C10H23ClOSi/c1-10(2,3)13(4,5)12-9-7-6-8-11/h6-9H2,1-5H3
• InChIKey: MTQPZXNVDIKRAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl(4-chlorobutoxy)dimethylsilane
• IUPAC Traditional name: tert-butyl(4-chlorobutoxy)dimethylsilane
• Synonyms: tert-Butyl(4-chlorobutoxy)dimethylsilane; 叔丁基(4-氯丁氧基)二甲基硅烷

Database IDs

• CAS Number: 89031-83-4
• MDL Number: MFCD00239391
• PubChem SID: 162243335; 24868271
• PubChem CID: 3382519

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5052
• LogD (pH = 7.4): 3.5052
• Log P: 3.5052
• Molar Refractivity: 56.9627 cm^3
• Polarizability: 24.589546 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 201 °C(lit.)
• Flash Point: 179.6 °F; 82 °C
• Density: 0.87 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.439(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 98%
• Linear Formula: Cl(CH2)4OSi(CH3)2C(CH3)3

DETAILS

Sigma Aldrich - 446378

Packaging
5 mL in glass bottle