(2,2-difluorocyclopropyl)methanol

• ChemBase ID: 21465
• Molecular Formular: C4H6F2O
• Molecular Mass: 108.0866464
• Monoisotopic Mass: 108.03867125
• SMILES: C(O)C1C(C1)(F)F
• Canonical SMILES: OCC1CC1(F)F
• InChI: InChI=1S/C4H6F2O/c5-4(6)1-3(4)2-7/h3,7H,1-2H2
• InChIKey: XOLSMTBBIZDHSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-difluorocyclopropyl)methanol
• IUPAC Traditional name: (2,2-difluorocyclopropyl)methanol
• Synonyms: (2,2-Difluorocyclopropyl)-methanol; 2,2-Difluorocyclopropylmethanol; 2,2-Difluorocyclopropanemethanol; (2,2-Difluorocyclopropyl)methanol; 2,2-二氟环丙基甲醇

Database IDs

• CAS Number: 509072-57-5
• MDL Number: MFCD06797748
• PubChem SID: 160984772
• PubChem CID: 2761401

CALCULATED PROPERTIES

• Acid pKa: 15.268686
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.12428629
• LogD (pH = 7.4): 0.12428628
• Log P: 0.12428629
• Molar Refractivity: 20.3831 cm^3
• Polarizability: 7.736175 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 129°C; 129°C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• UN Number: UN1987
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 97%