39774-18-0

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39774-18-0 Structure

Identification	Back Directory
[Name] 4-CHLOROBENZOIN
[CAS] 39774-18-0
[Synonyms] 4-CHLOROBENZOIN 1-(4-CHLOROPHENYL)-2-HYDROXY-2-PHENYLETHANONE Ethanone, 1-(4-chlorophenyl)-2-hydroxy-2-phenyl- 2-(4-Chlorophenyl)-2-hydroxy-1-phenylethan-1-one 4-Chlorobenzoin,1-(4-Chlorophenyl)-2-hydroxy-2-phenylethanone
[Molecular Formula] C14H11ClO2
[MDL Number] MFCD00090148
[MOL File] 39774-18-0.mol
[Molecular Weight] 246.69

Chemical Properties	Back Directory
[Melting point ] 89-93 °C(lit.)
[Boiling point ] 407.1±30.0 °C(Predicted)
[density ] 1.285±0.06 g/cm3(Predicted)
[form ] solid
[pka] 11.82±0.20(Predicted)
[InChI] 1S/C14H11ClO2/c15-12-8-6-11(7-9-12)14(17)13(16)10-4-2-1-3-5-10/h1-9,13,16H
[InChIKey] XYUKKJIDPMMCMJ-UHFFFAOYSA-N
[SMILES] OC(c1ccccc1)C(=O)c2ccc(Cl)cc2

Safety Data	Back Directory
[Hazard Codes ] Xn
[Risk Statements ] 22
[Safety Statements ] 36/37
[WGK Germany ] 3
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Acute Tox. 4 Oral

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