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HomeProduct name list4-Chlorobenzhydrol

4-Chlorobenzhydrol

Synonym(s):4-Chlorobenzhydrol

  • CAS NO.:119-56-2
  • Empirical Formula: C13H11ClO
  • Molecular Weight: 218.68
  • MDL number: MFCD00004491
  • EINECS: 204-333-4
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-11-01 18:09:03
4-Chlorobenzhydrol Structural

What is 4-Chlorobenzhydrol?

Chemical properties

white crystalline powder

The Uses of 4-Chlorobenzhydrol

4-Chlorobenzhydrol was used as internal standard to measure the N-demethyl antipyrine metabolite in urine by gas chromatography-mass spectrometry. It was also used in the identification of the antihistamine cetirizine as a relevant cross-reactant for the carbamazepine-specific enzyme-linked immunosorbent assay .

Preparation

Preparation of 4-Chlorobenzhydrol(4-CB):
about 5.0g(0.023 mol) of 4-chloro benzophenone was dissolved in 15 mL of isopropyl alcohol (IPA) and heated to 50°C followed by the addition of 0.265g(0.007 mol) of sodium borohydride as a lot with the temperature maintained at 65°C for 2 h. The reaction mixture was distilled to expel isopropyl alcohol up to 90 %. The resulting solution was cooled and treated with dil HCl (5 mL of conc. HCl in 20 mL of water). Finally the reaction mass was extracted with 15 mL of toluene. The toluene extract was washed withwater to pH-7. The compound obtained in this step was taken to next step without isolation but aliquot sample was concentrated, isolated and checked for melting point (m.p. = 58-60°C).

Definition

ChEBI: P-Chlorobenzhydrol is a diarylmethane.

Properties of 4-Chlorobenzhydrol

Melting point: 58-60 °C (lit.)
Boiling point: 150-151°C 2,6mm
Density  1.1178 (rough estimate)
refractive index  1.5260 (estimate)
Flash point: 150-151°C/2.6mm
storage temp.  2-8°C
solubility  insoluble
form  neat
pka 13.34±0.20(Predicted)
color  White to Off-White
Water Solubility  insoluble
BRN  2050235
CAS DataBase Reference 119-56-2(CAS DataBase Reference)
NIST Chemistry Reference Benzenemethanol, 4-chloro-«alpha»-phenyl-(119-56-2)
EPA Substance Registry System Benzenemethanol, 4-chloro-.alpha.-phenyl- (119-56-2)

Safety information for 4-Chlorobenzhydrol

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.
P501:Dispose of contents/container to..…

Computed Descriptors for 4-Chlorobenzhydrol

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