2-(2-chlorophenyl)ethan-1-ol

• ChemBase ID: 108138
• Molecular Formular: C8H9ClO
• Molecular Mass: 156.60946
• Monoisotopic Mass: 156.03419259
• SMILES: OCCc1ccccc1Cl
• Canonical SMILES: OCCc1ccccc1Cl
• InChI: InChI=1S/C8H9ClO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6H2
• InChIKey: IWNHTCBFRSCBQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenyl)ethan-1-ol
• IUPAC Traditional name: 2-(2-chlorophenyl)ethanol
• Synonyms: 2-(2-chlorophenyl)ethanol; O-CHLOROPHENYLMETHYLCARBINOL; 2-Chlorophenethyl alcohol; 2-氯苯基乙醇

Database IDs

• CAS Number: 19819-95-5
• EC Number: 243-348-0
• MDL Number: MFCD00002888
• PubChem SID: 162094049; 24851618
• PubChem CID: 88266

CALCULATED PROPERTIES

• Polarizability: 16.415285 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 15.795065
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0986018
• LogD (pH = 7.4): 2.0986018
• Log P: 2.0986018
• Molar Refractivity: 42.4337 cm^3

PROPERTIES

Physical Property

• Boiling Point: 84-85 °C/3 mmHg(lit.)
• Flash Point: >113 °C; >235.4 °F
• Density: 1.19 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.551(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: ClC6H4CH2CH2OH

DETAILS

MP Biomedicals - 05206205

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 193844

Packaging
1, 5 g in glass bottle