2-(2-Fluorophenyl)-3-butyn-2-ol

Base Information

• Chemical Name: 2-(2-Fluorophenyl)-3-butyn-2-ol
• CAS No.: 104684-14-2
• Molecular Formula: C10H9FO
• Molecular Weight: 164.18
• European Community (EC) Number: 693-723-1
• DSSTox Substance ID: DTXSID30584606
• Mol file: 104684-14-2.mol

Synonyms:2-(2-Fluorophenyl)-3-butyn-2-ol;104684-14-2;2-(2-Fluorophenyl)but-3-yn-2-ol;SCHEMBL615106;DTXSID30584606;AKOS010651448;2-(2-Fluorophenyl)-3-butyn-2-ol, 96%;J-001227

Chemical Property of 2-(2-Fluorophenyl)-3-butyn-2-ol

Chemical Property:

• Refractive Index: n20/D 1.519(lit.)
• Boiling Point: 237.8±25.0 °C(Predicted)
• PKA: 11.99±0.29(Predicted)
• Flash Point: 210 °F
• PSA: 20.23000
• Density: 1.123 g/mL at 25 °C(lit.)
• LogP: 1.66640
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 164.063743068
• Heavy Atom Count: 12
• Complexity: 205

Purity/Quality:

2-(2-Fluorophenyl)-3-butyn-2-ol 96% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C#C)(C1=CC=CC=C1F)O

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