(4-chlorophenyl)(phenyl)methanol

• ChemBase ID: 109087
• Molecular Formular: C13H11ClO
• Molecular Mass: 218.67884
• Monoisotopic Mass: 218.04984265
• SMILES: OC(c1ccccc1)c1ccc(Cl)cc1
• Canonical SMILES: Clc1ccc(cc1)C(c1ccccc1)O
• InChI: InChI=1S/C13H11ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H
• InChIKey: AJYOOHCNOXWTKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chlorophenyl)(phenyl)methanol
• IUPAC Traditional name: chlorobenzhydrol
• Synonyms: p-CHLOROBENZHYDROL; 4-Chlorodiphenylmethanol; 4-Chlorophenyl phenyl carbinol; (4-Chlorophenyl)(phenyl)methanol; 4-Chlorobenzhydrol; 对氯二苯甲醇; 4-氯二苯甲醇

Database IDs

• CAS Number: 119-56-2
• EC Number: 204-333-4
• MDL Number: MFCD00004491
• Beilstein Number: 2050235
• PubChem SID: 162094492; 24847638
• PubChem CID: 8401

CALCULATED PROPERTIES

• Acid pKa: 13.707804
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.5941808
• LogD (pH = 7.4): 3.5941806
• Log P: 3.5941808
• Molar Refractivity: 61.9615 cm^3
• Polarizability: 24.234735 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 58-60 °C(lit.); 58-62°C
• Boiling Point: 150-151°C/2.6mm

Safety Information

• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95+%; 98%
• Linear Formula: ClC6H4CH(C6H5)OH

DETAILS

MP Biomedicals - 05209808

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 124982

Packaging
1 g in glass bottle