(2,2-dichlorocyclopropyl)methanol

• ChemBase ID: 59454
• Molecular Formular: C4H6Cl2O
• Molecular Mass: 140.99584
• Monoisotopic Mass: 139.97957017
• SMILES: C(O)C1C(C1)(Cl)Cl
• Canonical SMILES: OCC1CC1(Cl)Cl
• InChI: InChI=1S/C4H6Cl2O/c5-4(6)1-3(4)2-7/h3,7H,1-2H2
• InChIKey: KRHRPJKHUHTSDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-dichlorocyclopropyl)methanol
• IUPAC Traditional name: (2,2-dichlorocyclopropyl)methanol
• Synonyms: (2,2-dichlorocyclopropyl)methanol; (2,2-Dichlorocyclopropyl)methanol; 1,1-Dichloro-2-(hydroxymethyl)cyclopropane; (2,2-Dichlorocyclopropyl)-methanol

Database IDs

• CAS Number: 5365-23-1
• MDL Number: MFCD00101196
• PubChem SID: 162064217
• PubChem CID: 541905

CALCULATED PROPERTIES

• Acid pKa: 15.369106
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.99114066
• LogD (pH = 7.4): 0.99114066
• Log P: 0.99114066
• Molar Refractivity: 30.2201 cm^3
• Polarizability: 11.808373 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.475

Safety Information

• Storage Warning: Corrosive; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 97%; TECH