3,3-bis(chloromethyl)oxetane

• ChemBase ID: 65293
• Molecular Formular: C5H8Cl2O
• Molecular Mass: 155.02242
• Monoisotopic Mass: 153.99522024
• SMILES: C1OCC1(CCl)CCl
• Canonical SMILES: ClCC1(CCl)COC1
• InChI: InChI=1S/C5H8Cl2O/c6-1-5(2-7)3-8-4-5/h1-4H2
• InChIKey: CXURGFRDGROIKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-bis(chloromethyl)oxetane
• IUPAC Traditional name: 3,3-bis(chloromethyl)oxetane
• Synonyms: 3,3-Bis(chloromethyl)oxetane; 3,3-Dichloromethyloxycyclobutane; BCMO

Database IDs

• CAS Number: 78-71-7
• MDL Number: MFCD00027377
• PubChem SID: 162031032
• PubChem CID: 6550
• Chemspider ID: 6302
• Wikipedia Title: 3,3-Bis(chloromethyl)oxetane

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1323007
• LogD (pH = 7.4): 1.1323007
• Log P: 1.1323007
• Molar Refractivity: 34.3196 cm^3
• Polarizability: 13.667709 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Black or olive green solid
• Melting Point: 18.9°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 92%