[2-(chloromethyl)prop-2-en-1-yl]trimethylsilane

• ChemBase ID: 145764
• Molecular Formular: C7H15ClSi
• Molecular Mass: 162.7325
• Monoisotopic Mass: 162.06315469
• SMILES: C[Si](C)(C)CC(=C)CCl
• Canonical SMILES: ClCC(=C)C[Si](C)(C)C
• InChI: InChI=1S/C7H15ClSi/c1-7(5-8)6-9(2,3)4/h1,5-6H2,2-4H3
• InChIKey: CQXWCEVXNRHUSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(chloromethyl)prop-2-en-1-yl]trimethylsilane
• IUPAC Traditional name: [2-(chloromethyl)prop-2-en-1-yl]trimethylsilane
• Synonyms: 2-(Chloromethyl)-3-trimethylsilyl-1-propene; 2-(Trimethylsilylmethyl)allyl chloride; 2-(Chloromethyl)allyl-trimethylsilane; 2-(三甲基甲硅烷基甲基)烯丙基氯; 2-(氯甲基)-3-三甲基硅基-1-丙烯; 2-(氯甲基)烯丙基-三甲基硅烷

Database IDs

• CAS Number: 18388-03-9
• MDL Number: MFCD00013253
• Beilstein Number: 1747038
• PubChem SID: 162239966; 24859124
• PubChem CID: 4440923

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2027
• LogD (pH = 7.4): 3.2027
• Log P: 3.2027
• Molar Refractivity: 40.516 cm^3
• Polarizability: 18.128275 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 162-163 °C/768 mmHg(lit.)
• Flash Point: 109.4 °F; 43 °C
• Density: 0.899 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.453; n20/D 1.453(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (GC); 97%
• Grade: purum
• Linear Formula: (CH3)3SiCH2C(CH2Cl)=CH2

DETAILS

Sigma Aldrich - 318345

Packaging
1, 5 g in glass bottle

Sigma Aldrich - 25037

Other Notes
Three-carbon annulating reagent reacting via [3+2] CA1,2; Annulation via alkylation3