(3-chloroprop-2-en-1-yl)trimethylsilane

• ChemBase ID: 138326
• Molecular Formular: C6H13ClSi
• Molecular Mass: 148.70592
• Monoisotopic Mass: 148.04750463
• SMILES: C[Si](C)(C)C/C=C/Cl
• Canonical SMILES: Cl/C=C/C[Si](C)(C)C
• InChI: InChI=1S/C6H13ClSi/c1-8(2,3)6-4-5-7/h4-5H,6H2,1-3H3
• InChIKey: PCULCDOARKKVRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-chloroprop-2-en-1-yl)trimethylsilane
• IUPAC Traditional name: (3-chloroprop-2-en-1-yl)trimethylsilane
• Synonyms: 1-Chloro-3-trimethylsilylpropene; 3-Chloroallyltrimethylsilane; 1-氯-3-三甲基甲硅烷基丙烯; 3-氯烯丙基三甲基硅烷

Database IDs

• CAS Number: 18187-39-8
• MDL Number: MFCD00042926
• Beilstein Number: 1740609
• PubChem SID: 162232582
• PubChem CID: 642574

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2538
• LogD (pH = 7.4): 3.2538
• Log P: 3.2538
• Molar Refractivity: 36.2099 cm^3
• Polarizability: 16.293678 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 137 °C/736 mmHg(lit.); 51-53 °C/36 mmHg(lit.)
• Flash Point: 23 °C; 73.4 °F
• Density: 0.898 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.444(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 11-34-37
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-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 2924 3/PG 3

Product Information

• Purity: 97%
• Linear Formula: ClCH=CHCH2Si(CH3)3