1-chloro-2-fluoro-3-methoxybenzene

• ChemBase ID: 7149
• Molecular Formular: C7H6ClFO
• Molecular Mass: 160.5733432
• Monoisotopic Mass: 160.00912071
• SMILES: c1cc(c(c(c1)OC)F)Cl
• Canonical SMILES: COc1cccc(c1F)Cl
• InChI: InChI=1S/C7H6ClFO/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3
• InChIKey: CVFVXCYDOOGQCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-2-fluoro-3-methoxybenzene
• IUPAC Traditional name: 1-chloro-2-fluoro-3-methoxybenzene
• Synonyms: 1-Chloro-2-fluoro-3-methoxybenzene; 3-Chloro-2-fluorophenyl methyl ether; 3-Chloro-2-fluoroanisole 97%; 3-Chloro-2-fluoroanisole; 3-Chloro-2-fluoroanisole; 1-Chloro-2-fluoro-3-methoxybenzene; 3-氯-2-氟苯甲醚

Database IDs

• CAS Number: 261762-56-5
• MDL Number: MFCD01631570
• PubChem SID: 160970456
• PubChem CID: 2773584

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5623212
• LogD (pH = 7.4): 2.5623212
• Log P: 2.5623212
• Molar Refractivity: 37.5424 cm^3
• Polarizability: 14.482565 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.5190

Safety Information

• Storage Warning: Flammable/Irritant; IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 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+%; 97%