1,1-dichlorosiletane

• ChemBase ID: 151782
• Molecular Formular: C3H6Cl2Si
• Molecular Mass: 141.07124
• Monoisotopic Mass: 139.96158208
• SMILES: C1C[Si](C1)(Cl)Cl
• Canonical SMILES: Cl[Si]1(Cl)CCC1
• InChI: InChI=1S/C3H6Cl2Si/c4-6(5)2-1-3-6/h1-3H2
• InChIKey: PASYEMKYRSIVTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dichlorosiletane
• IUPAC Traditional name: 1,1-dichlorosiletane
• Synonyms: 1,1-Dichlorosilacyclobutane; 1,1-二氯硅基环丁烷

Database IDs

• CAS Number: 2351-33-9
• EC Number: 219-084-7
• MDL Number: MFCD00053537
• PubChem SID: 162245929; 24865727
• PubChem CID: 75373

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.1929
• LogD (pH = 7.4): 1.1929
• Log P: 1.1929
• Molar Refractivity: 26.8944 cm^3
• Polarizability: 12.211653 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 113-115 °C(lit.)
• Flash Point: 20 °C; 68 °F
• Density: 1.19 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.464(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2988
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 14-34
• Safety Statements: 16-23-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H260-H314
• GHS Precautionary statements: P210-P223-P231 + P232-P280-P370 + P378-P422
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2988 4.3/PG 1

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C3H6Cl2Si

DETAILS

Sigma Aldrich - 411094

Packaging
5 mL in glass bottle