Ethyl 5-fluoro-2-mercaptobenzoate

Base Information

• Chemical Name: Ethyl 5-fluoro-2-mercaptobenzoate
• CAS No.: 870703-85-8
• Molecular Formula: C9H9 F O2 S
• Molecular Weight: 200.234
• DSSTox Substance ID: DTXSID60584538
• Wikidata: Q82476212
• Mol file: 870703-85-8.mol

Synonyms:Ethyl 5-fluoro-2-mercaptobenzoate;870703-85-8;ethyl 5-fluoro-2-sulfanylbenzoate;SCHEMBL485764;DTXSID60584538;PQRHDMMRVLIDMT-UHFFFAOYSA-N;AKOS015889592;Ethyl 5-fluoro-2-mercaptobenzoate, 97%;5-fluoro-2-mercaptobenzoic acid ethyl ester;5-fluoro-2-mercapto-benzoic acid ethyl ester

Chemical Property of Ethyl 5-fluoro-2-mercaptobenzoate

Chemical Property:

• Vapor Pressure: 0.00295mmHg at 25°C
• Melting Point: 24-28 °C(lit.)
• Refractive Index: 1.545
• Boiling Point: 284.6°C at 760 mmHg
• Flash Point: 110 °C
• PSA: 65.10000
• Density: 1.246g/cm³
• LogP: 2.29110
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 200.03072886
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

98%Min ^*data from raw suppliers

Ethyl 5-fluoro-2-mercaptobenzoate 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C=CC(=C1)F)S

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