1,2-dichloro-4-methoxybenzene

• ChemBase ID: 295443
• Molecular Formular: C7H6Cl2O
• Molecular Mass: 177.02794
• Monoisotopic Mass: 175.97957017
• SMILES: COc1ccc(c(c1)Cl)Cl
• Canonical SMILES: COc1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C7H6Cl2O/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3
• InChIKey: VISJRVXHPNMYRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dichloro-4-methoxybenzene
• IUPAC Traditional name: 1,2-dichloro-4-methoxybenzene
• Synonyms: 3,4-Dichloromethoxybenzene; 3,4-Dichloroanisole; 3,4-二氯苯甲醚

Database IDs

• CAS Number: 36404-30-5
• EC Number: 000-000-0
• MDL Number: MFCD00070785
• Beilstein Number: 775080
• PubChem SID: 180680974
• PubChem CID: 37438

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.023664
• LogD (pH = 7.4): 3.023664
• Log P: 3.023664
• Molar Refractivity: 42.1308 cm^3
• Polarizability: 16.651567 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -8°C
• Boiling Point: 200-204°C
• Flash Point: >110°C(230°F)
• Density: 1.330
• Refractive Index: 1.5570

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%