dichloro(3-chloropropyl)methylsilane

• ChemBase ID: 148380
• Molecular Formular: C4H9Cl3Si
• Molecular Mass: 191.55876
• Monoisotopic Mass: 189.95390986
• SMILES: C[Si](CCCCl)(Cl)Cl
• Canonical SMILES: ClCCC[Si](Cl)(Cl)C
• InChI: InChI=1S/C4H9Cl3Si/c1-8(6,7)4-2-3-5/h2-4H2,1H3
• InChIKey: UCJHMXXKIKBHQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro(3-chloropropyl)methylsilane
• IUPAC Traditional name: dichloro(3-chloropropyl)methylsilane
• Synonyms: (3-Chloropropyl)methyldichlorosilane; Dichloro(3-chloropropyl)methylsilane; 3-氯丙基甲基二氯硅烷; 二氯-3-氯丙基甲基硅烷

Database IDs

• CAS Number: 7787-93-1
• EC Number: 232-136-3
• MDL Number: MFCD00000996
• Beilstein Number: 1736034
• PubChem SID: 162242556; 24858581
• PubChem CID: 82235

CALCULATED PROPERTIES

• Molar Refractivity: 38.2897 cm^3
• Polarizability: 16.64228 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.0097
• LogD (pH = 7.4): 2.0097
• Log P: 2.0097

PROPERTIES

Physical Property

• Boiling Point: 80 °C/18 mmHg(lit.)
• Flash Point: 138.2 °F; 59 °C
• Density: 1.227 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.461(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2986
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-27-36/37/39-45
• 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 2986 8/PG 2

Product Information

• Purity: 98%
• Linear Formula: Cl(CH2)3Si(CH3)Cl2

DETAILS

Sigma Aldrich - 307297

Packaging
25 g in glass bottle
Application
Synthetic precursor to enoxysilacyclobutanes.1