2-chloro-5-fluorophenol

• ChemBase ID: 68758
• Molecular Formular: C6H4ClFO
• Molecular Mass: 146.5467632
• Monoisotopic Mass: 145.99347065
• SMILES: c1(c(ccc(c1)F)Cl)O
• Canonical SMILES: Fc1ccc(c(c1)O)Cl
• InChI: InChI=1S/C6H4ClFO/c7-5-2-1-4(8)3-6(5)9/h1-3,9H
• InChIKey: CMQOZIKIOASEIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-fluorophenol
• IUPAC Traditional name: 2-chloro-5-fluorophenol
• Synonyms: 2-Chloro-5-fluorophenol; 2-Chloro-5-fluorophenol 98%; 2-Chloro-5-fluorophenol; 2-氯-5-氟苯酚

Database IDs

• CAS Number: 3827-49-4
• MDL Number: MFCD00042524
• PubChem SID: 162034488
• PubChem CID: 2724522

CALCULATED PROPERTIES

• Acid pKa: 6.984325
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4025261
• LogD (pH = 7.4): 1.8681829
• Log P: 2.4164271
• Molar Refractivity: 33.0601 cm^3
• Polarizability: 12.589401 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 183-185°C; 183-185°C
• Refractive Index: 1.5250

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Corrosive (C); Nature polluting (N); X
• UN Number: UN3265
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 21/22-34-51/53
• Safety Statements: 26-36/37/39-45-61
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS07; GHS09
• GHS Hazard statements: H314-H318-H302-H312-H411-H401
• GHS Precautionary statements: P280-P273-P303+P361+P353-P305+P351+P338-P310

Product Information

• Purity: 95+%; 97%; 98%