1,1-bis(iodomethyl)cyclopropane

• ChemBase ID: 64980
• Molecular Formular: C5H8I2
• Molecular Mass: 321.92596
• Monoisotopic Mass: 321.87154626
• SMILES: C1CC1(CI)CI
• Canonical SMILES: ICC1(CI)CC1
• InChI: InChI=1S/C5H8I2/c6-3-5(4-7)1-2-5/h1-4H2
• InChIKey: NAEWACGRLOFYKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-bis(iodomethyl)cyclopropane
• IUPAC Traditional name: 1,1-bis(iodomethyl)cyclopropane
• Synonyms: 1,1-Bis(iodomethyl)cyclopropane

Database IDs

• CAS Number: 83321-23-7
• MDL Number: MFCD13151997
• PubChem SID: 162030719
• PubChem CID: 44720398

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2999597
• LogD (pH = 7.4): 3.2999597
• Log P: 3.2999597
• Molar Refractivity: 48.9425 cm^3
• Polarizability: 19.692661 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 96%