3-(triethoxysilyl)propanenitrile

• ChemBase ID: 107760
• Molecular Formular: C9H19NO3Si
• Molecular Mass: 217.33756
• Monoisotopic Mass: 217.11342001
• SMILES: CCO[Si](CCC#N)(OCC)OCC
• Canonical SMILES: CCO[Si](OCC)(OCC)CCC#N
• InChI: InChI=1S/C9H19NO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-7,9H2,1-3H3
• InChIKey: GBQYMXVQHATSCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(triethoxysilyl)propanenitrile
• IUPAC Traditional name: 3-(triethoxysilyl)propanenitrile
• Synonyms: (2-Cyanoethyl)triethoxysilane; 3-(Triethoxysilyl)propionitrile; 3-(triethoxysilyl)propanenitrile; β-CYANOETHYLTRIETHOXYSILANE; 3-(Triethoxysilyl)propionitrile; (2-Cyanoethyl)triethoxysilane; (2-氰乙基)三乙氧基硅烷; 2-氰基乙基三乙氧基硅烷; (2-氰乙基)三乙氧基硅烷

Database IDs

• CAS Number: 919-31-3
• EC Number: 213-050-5
• MDL Number: MFCD00019851
• Beilstein Number: 1776392
• PubChem SID: 24847662; 24857087; 162106138
• PubChem CID: 13522

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1895
• LogD (pH = 7.4): 1.1895
• Log P: 1.1895
• Molar Refractivity: 50.5989 cm^3
• Polarizability: 22.207264 Å^3
• Polar Surface Area: 51.48 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Boiling Point: 224 °C(lit.); 224-225°C
• Flash Point: 100 °C; 100°C(212°F); 212 °F
• Density: 0.979 g/mL at 25 °C(lit.); 0.980
• Refractive Index: 1.4130; n20/D 1.414(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: VV2750000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 23-26-37; 26
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 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% (GC); 97%
• Grade: purum
• Linear Formula: (C2H5O)3SiCH2CH2CN

DETAILS

MP Biomedicals - 05204931

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 125377

Packaging
25 mL in glass bottle