2-chloro-1-fluoro-4-methoxybenzene

• ChemBase ID: 97158
• Molecular Formular: C7H6ClFO
• Molecular Mass: 160.5733432
• Monoisotopic Mass: 160.00912071
• SMILES: O(c1cc(c(cc1)F)Cl)C
• Canonical SMILES: COc1ccc(c(c1)Cl)F
• InChI: InChI=1S/C7H6ClFO/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,1H3
• InChIKey: RWKKEILFRAYSDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-1-fluoro-4-methoxybenzene
• IUPAC Traditional name: 2-chloro-1-fluoro-4-methoxybenzene
• Synonyms: 3-Chloro-4-fluoroanisole 98%; 3-Chloro-4-fluoroanisole; 3-氯-4-氟苯甲醚

Database IDs

• CAS Number: 202925-07-3
• MDL Number: MFCD00070778
• PubChem SID: 162083771
• PubChem CID: 2773585

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: 14.482411 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 189°C
• Flash Point: 79°C(175°F)
• Density: 1.265
• Refractive Index: 1.515; 1.5150

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%