1-[chlorobis(4-methoxyphenyl)methyl]-4-methoxybenzene

• ChemBase ID: 146365
• Molecular Formular: C22H21ClO3
• Molecular Mass: 368.85334
• Monoisotopic Mass: 368.11792221
• SMILES: COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccc(cc1)OC)Cl
• Canonical SMILES: COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccc(cc1)OC)Cl
• InChI: InChI=1S/C22H21ClO3/c1-24-19-10-4-16(5-11-19)22(23,17-6-12-20(25-2)13-7-17)18-8-14-21(26-3)15-9-18/h4-15H,1-3H3
• InChIKey: OBFCMKPFILBCSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[chlorobis(4-methoxyphenyl)methyl]-4-methoxybenzene
• IUPAC Traditional name: 1-[chlorobis(4-methoxyphenyl)methyl]-4-methoxybenzene
• Synonyms: 4,4′,4′′-Trimethoxytrityl chloride; Chlorotris(4-methoxyphenyl)methane; 4,4',4''-Trimethoxytriphenylmethyl chloride; 4,4',4''-Trimethoxytrityl chloride; 4,4′,4′′-三甲氧基三苯甲基氯; 4,4',4'-三甲氧基三苯甲基氯

Database IDs

• CAS Number: 49757-42-8
• EC Number: 256-474-6
• MDL Number: MFCD00008408
• Beilstein Number: 892836
• PubChem SID: 162240563; 24862380
• PubChem CID: 630505

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.519956
• LogD (pH = 7.4): 5.519956
• Log P: 5.519956
• Molar Refractivity: 105.7521 cm^3
• Polarizability: 40.716366 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 146-148 °C(lit.); ca 150°C dec.

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Grade: technical grade
• Linear Formula: (CH3OC6H4)3CCl

DETAILS

Sigma Aldrich - 367001

Packaging
1, 5 g in glass bottle