(3-chloropropyl)triethoxysilane

• ChemBase ID: 151602
• Molecular Formular: C9H21ClO3Si
• Molecular Mass: 240.79974
• Monoisotopic Mass: 240.09484874
• SMILES: CCO[Si](CCCCl)(OCC)OCC
• Canonical SMILES: ClCCC[Si](OCC)(OCC)OCC
• InChI: InChI=1S/C9H21ClO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-9H2,1-3H3
• InChIKey: KSCAZPYHLGGNPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-chloropropyl)triethoxysilane
• IUPAC Traditional name: (3-chloropropyl)triethoxysilane
• Synonyms: 3-Chloropropyltriethoxysilane; (3-Chloropropyl)triethoxysilane; (3-chloropropyl)triethoxysilane; (3-氯丙基)三乙氧基硅烷

Database IDs

• CAS Number: 5089-70-3
• EC Number: 225-805-6
• MDL Number: MFCD00018985
• Beilstein Number: 1754992
• PubChem SID: 24880512; 162245753
• PubChem CID: 78771

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3846
• LogD (pH = 7.4): 2.3846
• Log P: 2.3846
• Molar Refractivity: 55.0443 cm^3
• Polarizability: 24.198576 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 37 °C; 98.6 °F
• Density: 1.000 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.418(lit.)
• Hydrophobicity(logP): 1.952

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: 16-26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319
• GHS Precautionary statements: P305 + P351 + P338
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 95%
• Linear Formula: ClCH2CH2CH2Si(OCH2CH3)3

DETAILS

Sigma Aldrich - 569615

Packaging
1 L in Sure/Seal™
100 mL in Sure/Seal™