1,4-dichloro-2-methoxybenzene

• ChemBase ID: 77561
• Molecular Formular: C7H6Cl2O
• Molecular Mass: 177.02794
• Monoisotopic Mass: 175.97957017
• SMILES: O(c1c(ccc(c1)Cl)Cl)C
• Canonical SMILES: COc1cc(Cl)ccc1Cl
• InChI: InChI=1S/C7H6Cl2O/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3
• InChIKey: QKMNFFSBZRGHDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dichloro-2-methoxybenzene
• IUPAC Traditional name: 1,4-dichloro-2-methoxybenzene
• Synonyms: 2,5-Dichloroanisole; 2,5-Dichloromethoxybenzene; 2,5-Dichloroanisole; 2,5-二氯苯甲醚

Database IDs

• CAS Number: 1984-58-3
• EC Number: 217-852-6
• MDL Number: MFCD00061123
• Beilstein Number: 2327401
• PubChem SID: 162042433
• PubChem CID: 16125

CALCULATED PROPERTIES

• Log P: 3.023664
• Molar Refractivity: 42.1308 cm^3
• Polarizability: 16.64396 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.023664
• LogD (pH = 7.4): 3.023664

PROPERTIES

Physical Property

• Boiling Point: 128-132°C/3.5mm; 128-132°C/3.5mm
• Density: 1.330
• Refractive Index: 1.5630

Safety Information

• Storage Warning: Irritant
• TSCA Listed: 是

Product Information

• Purity: 98%