6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid

Base Information

• Chemical Name: 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid
• CAS No.: 321309-28-8
• Molecular Formula: C9H7 F O4
• Molecular Weight: 198.15
• Hs Code.: 2932999099
• European Community (EC) Number: 639-390-8
• DSSTox Substance ID: DTXSID50381593
• Wikidata: Q27460215
• Mol file: 321309-28-8.mol

Synonyms:321309-28-8;6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid;6-Fluoro-4H-benzo[1,3]dioxine-8-carboxylic acid;6-Fluoro-4H-benzo[d][1,3]dioxine-8-carboxylic acid;6-fluoro-2,4-dihydro-1,3-benzodioxine-8-carboxylic acid;6-Fluoro-1,3-benzodioxene-8-carboxylic acid;SDCCGMLS-0065923.P001;SCHEMBL643308;DTXSID50381593;HWBALMSPYAUMMB-UHFFFAOYSA-N;MFCD02681981;AKOS006229969;AS-5209;CS-0314919;FT-0621122;A821147;J-518727;Q27460215;6-FLUORO-4H-1,3-BENZODIOXINE-8-CARBOXYLICACID;FBG

Chemical Property of 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid

Chemical Property:

• Melting Point: 180 °C
• Boiling Point: 180-182
• PKA: 3.33±0.20(Predicted)
• Flash Point: 181.7°C
• PSA: 55.76000
• Density: 1.466g/cm³
• LogP: 1.39040
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 198.03283686
• Heavy Atom Count: 14
• Complexity: 233

Purity/Quality:

98%Min ^*data from raw suppliers

6-Fluoro-4H-1,3-benzodioxine-8-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(C(=CC(=C2)F)C(=O)O)OCO1