(chloromethyl)trimethoxysilane

• ChemBase ID: 139494
• Molecular Formular: C4H11ClO3Si
• Molecular Mass: 170.66684
• Monoisotopic Mass: 170.01659842
• SMILES: CO[Si](CCl)(OC)OC
• Canonical SMILES: ClC[Si](OC)(OC)OC
• InChI: InChI=1S/C4H11ClO3Si/c1-6-9(4-5,7-2)8-3/h4H2,1-3H3
• InChIKey: FPOSCXQHGOVVPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (chloromethyl)trimethoxysilane
• IUPAC Traditional name: (chloromethyl)trimethoxysilane
• Synonyms: Chloromethyltrimethoxysilane; (Chloromethyl)trimethoxysilane; 氯甲基三甲氧基硅烷

Database IDs

• CAS Number: 5926-26-1
• MDL Number: MFCD00468107
• PubChem SID: 162233742; 24881675
• PubChem CID: 22212

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6481
• LogD (pH = 7.4): 1.6481
• Log P: 1.6481
• Molar Refractivity: 31.177 cm^3
• Polarizability: 15.103483 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 151 °C(lit.)
• Flash Point: 26.6 °F; -3 °C
• Density: 1.132 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11
• Safety Statements: 16-29-33
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H225
• GHS Precautionary statements: P210
• 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 2

Product Information

• Purity: 95+%; 96%
• Linear Formula: (H3CO)3SiCH2Cl

DETAILS

Sigma Aldrich - 597201

Packaging
25 g in glass bottle