(chloromethyl)dimethyl(propan-2-yloxy)silane

• ChemBase ID: 150107
• Molecular Formular: C6H15ClOSi
• Molecular Mass: 166.7212
• Monoisotopic Mass: 166.05806931
• SMILES: CC(C)O[Si](C)(C)CCl
• Canonical SMILES: ClC[Si](OC(C)C)(C)C
• InChI: InChI=1S/C6H15ClOSi/c1-6(2)8-9(3,4)5-7/h6H,5H2,1-4H3
• InChIKey: KOTFCAKXPLOYLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (chloromethyl)dimethyl(propan-2-yloxy)silane
• IUPAC Traditional name: (chloromethyl)(isopropoxy)dimethylsilane
• Synonyms: (Chloromethyl)dimethylisopropoxysilane; (Chloromethyl)-isopropoxy-dimethylsilane; 氯甲基二甲基异丙氧基硅烷

Database IDs

• CAS Number: 18171-11-4
• MDL Number: MFCD00010605
• Beilstein Number: 1736255
• PubChem SID: 162244269; 24857551
• PubChem CID: 266137

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3275
• LogD (pH = 7.4): 3.3275
• Log P: 3.3275
• Molar Refractivity: 37.8108 cm^3
• Polarizability: 17.244118 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 64-66 °C/54 mmHg(lit.)
• Flash Point: 28 °C; 82.4 °F
• Density: 0.926 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.415(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 97%
• Linear Formula: ClCH2Si(CH3)2OCH(CH3)2

DETAILS

Sigma Aldrich - 292036

Packaging
10, 50, 250 g in glass bottle