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HomeProduct name list3-Chlorobenzophenone

3-Chlorobenzophenone

Synonym(s):3-Chlorobenzophenone

  • CAS NO.:1016-78-0
  • Empirical Formula: C13H9ClO
  • Molecular Weight: 216.66
  • MDL number: MFCD00009816
  • EINECS: 213-809-0
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-01-18 17:03:00
3-Chlorobenzophenone Structural

What is 3-Chlorobenzophenone?

Chemical properties

WHITE TO OFF-WHITE AMORPHOUS POWDER

The Uses of 3-Chlorobenzophenone

3-Chlorobenzophenone is a reagent in the preparation of pharmaceuticals such as antitumor kinesin spindle protein inhibitors.

Research

Li et al. research the influence of the chloro substituent position on the triplet reactivity of benzophenone derivatives. The 3-chlorobenzophenone (3-Cl-BP), 4-chlorobenzophenone (4-Cl-BP), and 4,4′-dichlorobenzophenone (4,4′-dichloro-BP) triplets exhibit similar hydrogen abstraction ability as has been found previously for the parent BP triplet. In IPA, the 3-Cl-DPK, 4-Cl-DPK, and 4,4′-dichloro-DPK radicals were observed and reacted with DMK radical, most likely at the para-position to form a para-LAT. In a MeCN: H2O/1:1 aqueous solvent, these DPK radicals were also observed but with a slower formation rate. All of these results indicate that the 2-chloro substituent reduces the hydrogen abstraction ability of the substituted BP triplet, not as may be expected that an electron-withdrawing group could increase its photoreduction activity[1].

References

[1] Wen Li. “Influence of the chloro substituent position on the triplet reactivity of benzophenone derivatives: a time-resolved resonance Raman and density functional theory study.” Journal of Raman Spectroscopy 43 6 (2011): 774–780.

Properties of 3-Chlorobenzophenone

Melting point: 85-87 °C(lit.)
Boiling point: 332°C(lit.)
Density  1.1459 (rough estimate)
refractive index  1.5260 (estimate)
storage temp.  Sealed in dry,Room Temperature
form  powder to crystal
color  White to Almost white
BRN  1869822
InChI InChI=1S/C13H9ClO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H
CAS DataBase Reference 1016-78-0(CAS DataBase Reference)
NIST Chemistry Reference Methanone, (3-chlorophenyl)phenyl-(1016-78-0)
EPA Substance Registry System 3-Chlorobenzophenone (1016-78-0)

Safety information for 3-Chlorobenzophenone

Signal word Warning
Pictogram(s)
ghs
Flame
Flammables
GHS02
GHS Hazard Statements H226:Flammable liquids
H320:Serious eye damage/eye irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
P241:Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242:Use only non-sparking tools.
P243:Take precautionary measures against static discharge.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P337+P313:IF eye irritation persists: Get medical advice/attention.
P370+P378:In case of fire: Use … for extinction.
P403+P235:Store in a well-ventilated place. Keep cool.

Computed Descriptors for 3-Chlorobenzophenone

InChIKey CPLWKNRPZVNELG-UHFFFAOYSA-N
SMILES C(C1=CC=CC(Cl)=C1)(C1=CC=CC=C1)=O

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