chloro(chloromethoxy)methane

• ChemBase ID: 126166
• Molecular Formular: C2H4Cl2O
• Molecular Mass: 114.95856
• Monoisotopic Mass: 113.96392011
• SMILES: ClCOCCl
• Canonical SMILES: ClCOCCl
• InChI: InChI=1S/C2H4Cl2O/c3-1-5-2-4/h1-2H2
• InChIKey: HRQGCQVOJVTVLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(chloromethoxy)methane
• IUPAC Traditional name: bis(chloromethyl) ether
• Synonyms: Dichlorodimethyl Ether; sym-Dichloromethyl Ether; Monochloromethyl Ether; BCME; bis-CME; chloro-(chloromethoxy)methanE; oxybis[chloromethane]; Bis(chloromethyl) ether

Database IDs

• CAS Number: 542-88-1
• EC Number: 208-832-8
• PubChem SID: 162220507
• PubChem CID: 10967
• Chemspider ID: 21106500
• KEGG ID: C19158
• Wikipedia Title: Bis(chloromethyl)_ether

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3520633
• LogD (pH = 7.4): 1.3520633
• Log P: 1.3520633
• Molar Refractivity: 22.2913 cm^3
• Polarizability: 8.970498 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: colorless liquid
• Melting Point: -41.5°C
• Boiling Point: 106°C
• Flash Point: 38 °C

Safety Information

• Storage Condition: -20°C Freezer
• Main Hazard: 40px

DETAILS

Toronto Research Chemicals - B419040

Reagent used in the formation of ether linked dimers