trichloro[2-(chloromethyl)prop-2-en-1-yl]silane

• ChemBase ID: 145944
• Molecular Formular: C4H6Cl4Si
• Molecular Mass: 223.98794
• Monoisotopic Mass: 221.89928744
• SMILES: C=C(C[Si](Cl)(Cl)Cl)CCl
• Canonical SMILES: ClCC(=C)C[Si](Cl)(Cl)Cl
• InChI: InChI=1S/C4H6Cl4Si/c1-4(2-5)3-9(6,7)8/h1-3H2
• InChIKey: SJFJNNLIAXEOSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro[2-(chloromethyl)prop-2-en-1-yl]silane
• IUPAC Traditional name: trichloro[2-(chloromethyl)prop-2-en-1-yl]silane
• Synonyms: Trichloro[2-(chloromethyl)allyl]silane; 三氯[2-(氯甲基)烯丙基]硅烷

Database IDs

• CAS Number: 18147-84-7
• MDL Number: MFCD00209619
• PubChem SID: 24866225; 162240144
• PubChem CID: 4407545

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.968
• LogD (pH = 7.4): 2.968
• Log P: 2.968
• Molar Refractivity: 42.1284 cm^3
• Polarizability: 18.333488 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 31 °C/0.1 mmHg(lit.)
• Flash Point: 181.4 °F; 83 °C
• Density: 1.346 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.484(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2987
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 14-34
• Safety Statements: 26-27-36/37/39-45
• 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
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: 98%
• Linear Formula: H2C=C(CH2Cl)CH2SiCl3

DETAILS

Sigma Aldrich - 418498

Packaging
1 g in glass bottle