2,4,5-Trifluoro-3-methoxybenzoate

Base Information

• Chemical Name: 2,4,5-Trifluoro-3-methoxybenzoate
• CAS No.: 11281-65-5
• Molecular Formula: C8H5F3O3
• Molecular Weight: 206.12
• Hs Code.: 29189990
• DSSTox Substance ID: DTXSID10920907
• Wikidata: Q72486242
• Mol file: 11281-65-5.mol

Synonyms:2,4,5-trifluoro-3-methoxybenzoate;DTXSID10920907

Chemical Property of 2,4,5-Trifluoro-3-methoxybenzoate

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.296mmHg at 25°C
• Melting Point: 105-112 °C(lit.)
• Refractive Index: 1.499
• Boiling Point: 284.3 °C at 760 mmHg
• Flash Point: 125.7 °C
• PSA: 46.53000
• Density: 1.487 g/cm3
• LogP: 1.81070
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 205.01125347
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Methoxy-2- ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=CC(=C1F)F)C(=O)[O-])F