1-chloro-1-methylsiletane

• ChemBase ID: 149206
• Molecular Formular: C4H9ClSi
• Molecular Mass: 120.65276
• Monoisotopic Mass: 120.0162045
• SMILES: C[Si]1(CCC1)Cl
• Canonical SMILES: C[Si]1(Cl)CCC1
• InChI: InChI=1S/C4H9ClSi/c1-6(5)3-2-4-6/h2-4H2,1H3
• InChIKey: JWKKXHBGWAQZOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-1-methylsiletane
• IUPAC Traditional name: 1-chloro-1-methylsiletane
• Synonyms: 1-Chloro-1-methylsilacyclobutane; 1-氯-1-甲基硅杂环丁烷

Database IDs

• CAS Number: 2351-34-0
• MDL Number: MFCD00191926
• PubChem SID: 162243374; 24865756
• PubChem CID: 137554

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8167
• LogD (pH = 7.4): 1.8167
• Log P: 1.8167
• Molar Refractivity: 26.3174 cm^3
• Polarizability: 12.128716 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 103 °C(lit.)
• Flash Point: 3 °C; 37.4 °F
• Density: 0.985 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.45(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2985
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-14-34
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314
• GHS Precautionary statements: P210-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 2985 3/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C4H9ClSi

DETAILS

Sigma Aldrich - 411582

Application
Intermediate in the formation of enoxysilacyclobutanes.1
Packaging
5 g in glass bottle