2,3-dichloro-6-fluorophenol

• ChemBase ID: 296320
• Molecular Formular: C6H3Cl2FO
• Molecular Mass: 180.9918232
• Monoisotopic Mass: 179.9544983
• SMILES: c1cc(c(c(c1F)O)Cl)Cl
• Canonical SMILES: Fc1ccc(c(c1O)Cl)Cl
• InChI: InChI=1S/C6H3Cl2FO/c7-3-1-2-4(9)6(10)5(3)8/h1-2,10H
• InChIKey: ODZXPXPRCGLXRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichloro-6-fluorophenol
• IUPAC Traditional name: 2,3-dichloro-6-fluorophenol
• Synonyms: 2,3-Dichloro-6-fluorophenol; 2,3-二氯-6-氟苯酚

Database IDs

• CAS Number: 886497-60-5
• EC Number: None
• MDL Number: MFCD04115876
• PubChem SID: 180681851
• PubChem CID: 4404940

CALCULATED PROPERTIES

• Acid pKa: 6.3881063
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.968141
• LogD (pH = 7.4): 2.007191
• Log P: 3.0204718
• Molar Refractivity: 37.8649 cm^3
• Polarizability: 14.601875 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C); Nature polluting (N); X
• UN Number: UN3261
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 21/22-34-51/53
• Safety Statements: 26-36/37/39-45-61
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS06; GHS09
• GHS Hazard statements: H301-H311-H314-H318-H411-H401
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A

Product Information

• Purity: 97%