trichloro(2-chloroethyl)silane

• ChemBase ID: 112445
• Molecular Formular: C2H4Cl4Si
• Molecular Mass: 197.95066
• Monoisotopic Mass: 195.88363738
• SMILES: ClCC[Si](Cl)(Cl)Cl
• Canonical SMILES: ClCC[Si](Cl)(Cl)Cl
• InChI: InChI=1S/C2H4Cl4Si/c3-1-2-7(4,5)6/h1-2H2
• InChIKey: FLPXNJHYVOVLSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro(2-chloroethyl)silane
• IUPAC Traditional name: trichloro(2-chloroethyl)silane
• Synonyms: β-CHLOROETHYL TRICHOLOROSILANE; (2-Chloroethyl)trichlorosilane; Trichloro-(2-chloroethyl)silane; (2-氯乙基)三氯硅烷; 三氯(2-氯乙基)硅烷

Database IDs

• CAS Number: 6233-20-1
• EC Number: 228-345-4
• MDL Number: MFCD00045286
• Beilstein Number: 1736920
• PubChem SID: 24854782; 162097513
• PubChem CID: 80386

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6334
• LogD (pH = 7.4): 2.6334
• Log P: 2.6334
• Molar Refractivity: 33.2013 cm^3
• Polarizability: 15.002722 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 33 °C; 91 °F
• Density: 1.419 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.464

Safety Information

• UN Number: 2986
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 16-26-36/37/39-45
• RID/ADR: UN 2986 8/PG 2

Product Information

• Purity: ≥95% (GC)
• Grade: technical
• Empirical Formula (Hill Notation): C2H4Cl4Si

DETAILS

MP Biomedicals - 05223996

MP Biomedicals Rare Chemical collection