2-(4-chlorophenoxy)ethan-1-ol

• ChemBase ID: 107002
• Molecular Formular: C8H9ClO2
• Molecular Mass: 172.60886
• Monoisotopic Mass: 172.02910721
• SMILES: OCCOc1ccc(Cl)cc1
• Canonical SMILES: OCCOc1ccc(cc1)Cl
• InChI: InChI=1S/C8H9ClO2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2
• InChIKey: GEGSSUSEWOHAFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenoxy)ethan-1-ol
• IUPAC Traditional name: ethanol, 2-(4-chlorophenoxy)-; chlorophetanol
• Synonyms: 2-(p-CHLOROPHENOXY)ETHANOL; 4-(2-Hydroxyethoxy)chlorobenzene; 2-(4-Chlorophenoxy)ethanol; 2-(4-氯苯氧基)乙醇

Database IDs

• CAS Number: 1892-43-9
• EC Number: 217-578-7
• MDL Number: MFCD00014036
• Beilstein Number: 1365684
• PubChem SID: 162092934
• PubChem CID: 15907

CALCULATED PROPERTIES

• Acid pKa: 15.102173
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7295172
• LogD (pH = 7.4): 1.7295172
• Log P: 1.7295172
• Molar Refractivity: 43.6183 cm^3
• Polarizability: 17.18768 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 30°C
• Boiling Point: 135-136°C/6mm
• Refractive Index: 1.5510

Safety Information

• RTECS: KK2100000
• European Hazard Symbols: X
• UN Number: UN2811
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 21-37/38-41
• Safety Statements: 26-36/37/39-60
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Hazard statements: H318-H315-H312-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98+%

DETAILS

MP Biomedicals - 05202186

MP Biomedicals Rare Chemical collection