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

• ChemBase ID: 152354
• Molecular Formular: C9H17ClO2Si
• Molecular Mass: 220.76858
• Monoisotopic Mass: 220.068634
• SMILES: CC(=C)C(=O)OCCC[Si](C)(C)Cl
• Canonical SMILES: CC(=C)C(=O)OCCC[Si](Cl)(C)C
• InChI: InChI=1S/C9H17ClO2Si/c1-8(2)9(11)12-6-5-7-13(3,4)10/h1,5-7H2,2-4H3
• InChIKey: OKQXCDUCLYWRHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(chlorodimethylsilyl)propyl 2-methylprop-2-enoate
• IUPAC Traditional name: 3-(chlorodimethylsilyl)propyl 2-methylprop-2-enoate
• Synonyms: (3-Methacryloyloxypropyl)dimethyl-chlorosilane; 3-(Dimethylchlorosilyl)propyl methacrylate; (3-异丁烯酰基氧基丙基)二甲基-氯硅烷; 甲基丙烯酰基丙基二甲基氯硅烷

Database IDs

• CAS Number: 24636-31-5
• EC Number: 246-377-7
• MDL Number: MFCD00053899
• Beilstein Number: 2244691
• PubChem SID: 24883119; 162246499
• PubChem CID: 2759527

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.446
• LogD (pH = 7.4): 3.446
• Log P: 3.446
• Molar Refractivity: 52.7628 cm^3
• Polarizability: 22.599903 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 185 °F; 85 °C
• Density: 1.012 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.451

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2987
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-27-36-45
• 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

Product Information

• Purity: ≥85% (GC)
• Grade: technical
• Empirical Formula (Hill Notation): C9H17ClO2Si

DETAILS

Sigma Aldrich - 64145

Packaging
5 mL in glass bottle