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

• ChemBase ID: 139504
• Molecular Formular: C10H23ClO3Si
• Molecular Mass: 254.82632
• Monoisotopic Mass: 254.11049881
• SMILES: CC(C)O[Si](CCl)(OC(C)C)OC(C)C
• Canonical SMILES: ClC[Si](OC(C)C)(OC(C)C)OC(C)C
• InChI: InChI=1S/C10H23ClO3Si/c1-8(2)12-15(7-11,13-9(3)4)14-10(5)6/h8-10H,7H2,1-6H3
• InChIKey: SAKYAANYXZKYEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (chloromethyl)tris(propan-2-yloxy)silane
• IUPAC Traditional name: (chloromethyl)triisopropoxysilane
• Synonyms: Chloromethyltriisopropoxysilane; 氯甲基三异丙氧基硅烷

Database IDs

• CAS Number: 18162-82-8
• MDL Number: MFCD05664343
• PubChem SID: 162233752; 24881661
• PubChem CID: 16217502

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9149
• LogD (pH = 7.4): 3.9149
• Log P: 3.9149
• Molar Refractivity: 58.6792 cm^3
• Polarizability: 26.028614 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 179.6 °F; 82 °C
• Density: 0.962 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 37/38-41
• Safety Statements: 26-36
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H335
• GHS Precautionary statements: P261-P280-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: 96%
• Linear Formula: ClCH2Si(OCH(CH3)2)3

DETAILS

Sigma Aldrich - 596973

Packaging
5 g in glass bottle