2-(2,4-dichlorophenoxy)ethan-1-ol

• ChemBase ID: 7859
• Molecular Formular: C8H8Cl2O2
• Molecular Mass: 207.05392
• Monoisotopic Mass: 205.99013486
• SMILES: Clc1cc(Cl)c(cc1)OCCO
• Canonical SMILES: OCCOc1ccc(cc1Cl)Cl
• InChI: InChI=1S/C8H8Cl2O2/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5,11H,3-4H2
• InChIKey: PCCMNBRZMKANQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-dichlorophenoxy)ethan-1-ol
• IUPAC Traditional name: 2-(2,4-dichlorophenoxy)ethanol
• Synonyms: 2-(2,4-Dichlorophenoxy)ethanol; 2,4-DICHLOROPHENOXYETHANOL TECHNICAL GRADE

Database IDs

• CAS Number: 120-67-2
• MDL Number: MFCD00016564
• PubChem SID: 160971166
• PubChem CID: 8444

CALCULATED PROPERTIES

• Acid pKa: 15.102074
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.333562
• LogD (pH = 7.4): 2.333562
• Log P: 2.333562
• Molar Refractivity: 48.4231 cm^3
• Polarizability: 19.141325 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 54°C

Safety Information

• TSCA Listed: false

Product Information

• Grade: TECHNICAL

DETAILS

MP Biomedicals - 05215163

MP Biomedicals Rare Chemical collection