trichloro(dichloromethyl)silane

• ChemBase ID: 138039
• Molecular Formular: CHCl5Si
• Molecular Mass: 218.36914
• Monoisotopic Mass: 215.82901496
• SMILES: C([Si](Cl)(Cl)Cl)(Cl)Cl
• Canonical SMILES: ClC([Si](Cl)(Cl)Cl)Cl
• InChI: InChI=1S/CHCl5Si/c2-1(3)7(4,5)6/h1H
• InChIKey: LQUJCRPJNSUWKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro(dichloromethyl)silane
• IUPAC Traditional name: trichloro(dichloromethyl)silane
• Synonyms: Trichloro(dichloromethyl)silane; 三氯(二氯甲基)硅烷

Database IDs

• CAS Number: 1558-24-3
• EC Number: 216-315-3
• MDL Number: MFCD00045246
• PubChem SID: 24871594; 24868279; 162232298
• PubChem CID: 73786

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7485
• LogD (pH = 7.4): 3.7485
• Log P: 3.7485
• Molar Refractivity: 33.9728 cm^3
• Polarizability: 15.207242 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 144-146 °C(lit.)
• Flash Point: 35 °C; 95 °F
• Density: 1.552 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.474(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2987
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-14-34
• Safety Statements: 16-23-26-36/37/39-45
• 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 2987 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: 85%; 96%
• Grade: technical grade
• Linear Formula: Cl2CHSiCl3

DETAILS

Sigma Aldrich - 479039

Packaging
25 mL in glass bottle