1-(chlorodiphenylmethyl)-4-methylbenzene

• ChemBase ID: 287077
• Molecular Formular: C20H17Cl
• Molecular Mass: 292.80198
• Monoisotopic Mass: 292.10187822
• SMILES: Cc1ccc(C(c2ccccc2)(c2ccccc2)Cl)cc1
• Canonical SMILES: Cc1ccc(cc1)C(c1ccccc1)(c1ccccc1)Cl
• InChI: InChI=1S/C20H17Cl/c1-16-12-14-19(15-13-16)20(21,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
• InChIKey: VUTZFAOGDXUYEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(chlorodiphenylmethyl)-4-methylbenzene
• IUPAC Traditional name: 1-(chlorodiphenylmethyl)-4-methylbenzene
• Synonyms: Trityl chloride, polymer-supported; (Chloro(p-tolyl)methylene)dibenzene; 三苯甲基氯化物, 键合于树脂, 100-200目

Database IDs

• CAS Number: 23429-44-9
• MDL Number: MFCD01073758; MFCD00284810
• PubChem SID: 180672608
• PubChem CID: 4275903

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.5063915
• LogD (pH = 7.4): 6.5063915
• Log P: 6.5063915
• Molar Refractivity: 91.4037 cm^3
• Polarizability: 35.00249 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Beads

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3261
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 1% cross-linked, 100-200 mesh, 0.5-2.5 mmol/g on poly(styrene-divinylbenzene); 95+%