68751-90-6

Basic information

• Product Name: 5-CHLORO-2-HYDROXY-4-METHYLBENZOPHENONE
• Synonyms: 5-CHLORO-2-HYDROXY-4-METHYLBENZOPHENONE;5''-CHLORO-2''-HYDROXY-4''-METHYL-PROPIOPHENONE 98%;(5-Chloro-2-hydroxy-4-methylphenyl)phenylmethanone;5-Chloro-2-hydroxy-4-methylbenzophenone,99%
• CAS NO: 68751-90-6
• Molecular Formula: C₁₄H₁₁ClO₂
• Molecular Weight: 246.69
• EINECS: 272-140-2
• Mol File: 68751-90-6.mol
• Article Data: 3

Chemical Properties

• Melting Point: 138-141 °C(lit.)
• Boiling Point: 350.79°C (rough estimate)
• Flash Point: 187.7°C
• Appearance: /
• Density: 1.1786 (rough estimate)
• Vapor Pressure: 1.56E-06mmHg at 25°C
• Refractive Index: 1.5380 (estimate)
• PKA: 7.57±0.48(Predicted)
• CAS DataBase Reference: 5-CHLORO-2-HYDROXY-4-METHYLBENZOPHENONE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-CHLORO-2-HYDROXY-4-METHYLBENZOPHENONE(68751-90-6)
• EPA Substance Registry System: 5-CHLORO-2-HYDROXY-4-METHYLBENZOPHENONE(68751-90-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39
• WGK Germany: 3
• Hazardous Substances Data: 68751-90-6(Hazardous Substances Data)

Usage

Chemical Properties

YELLOW TO GREENISH CRYSTALLINE POWDER

Preparation

Preparation by Fries rearrangement of 4-chloro- 3-methyl-phenyl benzoate in the presence of, ? aluminium chloride without solvent at 140° for 10 min (quantitative yield); ? Nafion-XR, a H+-form ion exchange resin, at 175° for 4 h (37%).

InChI:InChI=1/C14H11ClO2/c1-9-7-13(16)11(8-12(9)15)14(17)10-5-3-2-4-6-10/h2-8,16H,1H3

Upstream product

• 59-50-7 4-Chloro-3-methylphenol 
• 98-88-4 benzoyl chloride 
• 84196-13-4 4-chloro-3-methylphenyl benzoate 

Downstream Products

• 1352720-38-7 (5-chloro-4-methyl-2-hydroxy benzophenone)bis(triphenylarsine)dibromidoruthenium(III) 
• 1352720-39-8 (5-chloro-4-methyl-2-hydroxy benzophenone)bis(triphenylphosphine)dibromidoruthenium(III) 
• 1352720-37-6 (5-chloro-4-methyl-2-hydroxy benzophenone)bis(triphenylarsine)dichloridoruthenium(III) 
• 1352720-36-5 (5-chloro-4-methyl-2-hydroxy benzophenone)bis(triphenylphosphine)dichloridoruthenium(III) 
• 62666-07-3 C₁₈H₁₈ClNO₃ 

Relevant articles and documents

Paramagnetic ruthenium(III) complexes bearing O,O chelating ligands: Synthesis, spectra, molecular structure and electron transfer properties

Paramagnetic Ru(III) complexes of the type [RuX2(EPh 3)2(L)] (where X = Cl or Br; E = P or As; L = monobasic bidentate benzophenone ligand) have been synthesized from the reaction of ruthenium(III) precursors, viz. [RuX3(EPh3)3] (where X = Cl, E = P; X = Cl or Br, E = As) or [RuBr3(PPh 3)2(CH3OH)] and substituted hydroxy benzophenones in a 1:1 molar ratio in benzene under reflux for 6 h. The hydroxy benzophenone ligands behave as monoanionic bidentate O,O donors and coordinate to ruthenium through the phenolate oxygen and ketonic oxygen atoms, generating a six-membered chelate ring. The compositions of the complexes have been established by analytical and spectral (FT-IR, UV-Vis, EPR) and X-ray crystallography methods. The single crystal structure of the complex [RuCl 2(PPh3)2(L1)] (1) has been determined by X-ray crystallography and indicates the presence of a distorted octahedral geometry in these complexes. The magnetic moment values of the complexes are in the range 1.75-1.89 μB, which reveals the presence of one unpaired electron in the metal ion. EPR spectra of liquid samples at liquid nitrogen temperature (LNT) show a rhombic distortion (g x ≠ gy ≠ gz) around the ruthenium ion. The complexes are redox active and display quasi-reversible oxidation and quasi-reversible reduction waves versus Ag/AgCl.

Method of treating inflammation

A method of treating inflammation and inhibiting prostaglandin synthesis employing 2-hydroxybenzophenone and substituted 2-hydroxybenzophenones.