(3-bromopropyl)trimethoxysilane

• ChemBase ID: 121776
• Molecular Formular: C6H15BrO3Si
• Molecular Mass: 243.171
• Monoisotopic Mass: 241.99738287
• SMILES: [Si](OC)(OC)(OC)CCCBr
• Canonical SMILES: BrCCC[Si](OC)(OC)OC
• InChI: InChI=1S/C6H15BrO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4-6H2,1-3H3
• InChIKey: GLISZRPOUBOZDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-bromopropyl)trimethoxysilane
• IUPAC Traditional name: (3-bromopropyl)trimethoxysilane
• Synonyms: (3-bromopropyl)trimethoxysilane; (3-Bromopropyl)trimethoxysilane; (3-溴丙基)三甲氧基硅烷

Database IDs

• CAS Number: 51826-90-5
• EC Number: 257-453-4
• MDL Number: MFCD00053894
• Beilstein Number: 4952577
• PubChem SID: 162216129
• PubChem CID: 103984

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4204
• LogD (pH = 7.4): 1.4204
• Log P: 1.4204
• Molar Refractivity: 43.782 cm^3
• Polarizability: 19.72055 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Boiling Point: 130 °C/45 mmHg(lit.)
• Flash Point: 179.6 °F; 82 °C
• Density: 1.298 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.440(lit.)

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): C6H15BrO3Si

DETAILS

Sigma Aldrich - 18265

Packaging
5 mL in glass bottle