3-(trichlorosilyl)propyl 2-methylprop-2-enoate

• ChemBase ID: 152248
• Molecular Formular: C7H11Cl3O2Si
• Molecular Mass: 261.60554
• Monoisotopic Mass: 259.95938916
• SMILES: CC(=C)C(=O)OCCC[Si](Cl)(Cl)Cl
• Canonical SMILES: O=C(C(=C)C)OCCC[Si](Cl)(Cl)Cl
• InChI: InChI=1S/C7H11Cl3O2Si/c1-6(2)7(11)12-4-3-5-13(8,9)10/h1,3-5H2,2H3
• InChIKey: DOGMJCPBZJUYGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(trichlorosilyl)propyl 2-methylprop-2-enoate
• IUPAC Traditional name: 3-(trichlorosilyl)propyl 2-methylprop-2-enoate
• Synonyms: (3-Methacryloyloxypropyl)trichlorosilane; 3-(Trichlorosilyl)propyl methacrylate; (3-甲基丙烯酰氧丙基)三氯硅烷; 3-(三氯甲硅烷基)丙基甲基丙烯酸酯

Database IDs

• CAS Number: 7351-61-3
• EC Number: 230-878-2
• MDL Number: MFCD00054720
• Beilstein Number: 1942074
• PubChem SID: 162246393; 24883167
• PubChem CID: 81811

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3982
• LogD (pH = 7.4): 3.3982
• Log P: 3.3982
• Molar Refractivity: 53.172 cm^3
• Polarizability: 22.767883 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >201.2 °F; >94 °C
• Density: 1.239 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.465(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2987
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 14-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-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 2987 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥90% (GC)
• Grade: technical
• Empirical Formula (Hill Notation): C7H11Cl3O2Si

DETAILS

Sigma Aldrich - 64205

Packaging
25 mL in Sure/Seal™
5 mL in glass bottle