tris(4-chlorophenyl)methanol

• ChemBase ID: 302036
• Molecular Formular: C19H13Cl3O
• Molecular Mass: 363.66492
• Monoisotopic Mass: 362.00319808
• SMILES: c1cc(ccc1C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O)Cl
• Canonical SMILES: OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl
• InChI: InChI=1S/C19H13Cl3O/c20-16-7-1-13(2-8-16)19(23,14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,23H
• InChIKey: BPFKTJMHOWDJKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(4-chlorophenyl)methanol
• IUPAC Traditional name: tris(4-chlorophenyl)methanol
• Synonyms: Tris(p-chlorophenyl) carbinol; Tris(p-chlorophenyl)methanol; 4,4',4''-Trichlorotrityl alcohol; 4,4',4'-三氯三苯甲基乙醇

Database IDs

• CAS Number: 3010-80-8
• EC Number: 221-137-4
• MDL Number: MFCD00051795
• Beilstein Number: 2293156

CALCULATED PROPERTIES

• Acid pKa: 12.642512
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.450512
• LogD (pH = 7.4): 6.4505095
• Log P: 6.450512
• Molar Refractivity: 97.7259 cm^3
• Polarizability: 37.542576 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 94-97°C

Safety Information

• RTECS: PC4160000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%