triethoxy(3-isocyanatopropyl)silane

• ChemBase ID: 121775
• Molecular Formular: C10H21NO4Si
• Molecular Mass: 247.36354
• Monoisotopic Mass: 247.12398469
• SMILES: [Si](OCC)(OCC)(OCC)CCCN=C=O
• Canonical SMILES: CCO[Si](OCC)(OCC)CCCN=C=O
• InChI: InChI=1S/C10H21NO4Si/c1-4-13-16(14-5-2,15-6-3)9-7-8-11-10-12/h4-9H2,1-3H3
• InChIKey: FRGPKMWIYVTFIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triethoxy(3-isocyanatopropyl)silane
• IUPAC Traditional name: triethoxy(3-isocyanatopropyl)silane
• Synonyms: triethoxy(3-isocyanatopropyl)silane; 3-(Triethoxysilyl)propyl isocyanate; (3-Isocyanatopropyl)triethoxysilane; (3-Isocyanatopropyl)triethoxysilane; Triethoxy(3-isocyanatopropyl)silane; 3-(Triethoxysilyl)propyl isocyanate; Triethoxy(3-isocyanatopropyl)silane; (3-异氰酸丙基)三乙氧基硅烷; (3-异氰基丙基)三乙氧基硅烷; 三乙氧基(3-异氰基丙基)硅烷; 3-(三乙氧基甲硅烷基)丙基异氰酸; 三乙氧基(3-异氰基丙基)硅烷

Database IDs

• CAS Number: 24801-88-5
• EC Number: 246-467-6
• MDL Number: MFCD00051459
• Beilstein Number: 4404652
• PubChem SID: 24881200; 24865861; 162216128
• PubChem CID: 90613

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.2893
• LogD (pH = 7.4): 1.2893
• Log P: 1.2893
• Molar Refractivity: 57.0702 cm^3
• Polarizability: 24.732244 Å^3
• Polar Surface Area: 57.12 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 238°C; 283 °C(lit.)
• Flash Point: 170.6 °F; 77 °C; 77°C(170°F)
• Density: 0.990; 0.999 g/mL at 25 °C(lit.)
• Refractive Index: 1.4210; n20/D 1.42(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: VV6691000
• European Hazard Symbols: Toxic (T); Highly toxic (T+)
• UN Number: 3390; UN2927
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1; II
• Risk Statements: 21/22-23-34-42; 21/22-26-34-42; 26/27/28-34-42
• Safety Statements: 23-26-28-36/37/39-45; 23-26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H310-H314-H330-H334; H302-H312-H314-H330-H334; H330-H302-H312-H334-H314-H318-H227
• GHS Precautionary statements: P260-P264-P280-P284-P301 + P310-P302 + P350; P260-P280-P284-P305 + P351 + P338-P310; P260-P280-P305+P351+P338-P309-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3390 6.1/PG 1
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95.0% (GC); 95%
• Grade: purum
• Linear Formula: (C2H5O)3Si(CH2)3NCO

DETAILS

Sigma Aldrich - 413364

Packaging
25, 100 mL in glass bottle