3-Chlorobenzophenone Property

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

InChIKey

CPLWKNRPZVNELG-UHFFFAOYSA-N

SMILES

C(C1=CC=CC(Cl)=C1)(C1=CC=CC=C1)=O

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

Hazard Codes 

Xi,Xn

Risk Statements 

36/37/38-20/21/22

Safety Statements 

26-37/39-36/37/39-22-36

WGK Germany 

3

Hazard Note 

Irritant

HS Code 

2914 79 00

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H226Flammable liquid and vapour

H320Causes eye irritation

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P233Keep container tightly closed.

P240Ground/bond container and receiving equipment.

P241Use explosion-proof electrical/ventilating/lighting/…/equipment.

P242Use only non-sparking tools.

P243Take precautionary measures against static discharge.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P337+P313IF eye irritation persists: Get medical advice/attention.

P370+P378In case of fire: Use … for extinction.

P403+P235Store in a well-ventilated place. Keep cool.

3-Chlorobenzophenone Chemical Properties,Usage,Production

Chemical Properties

WHITE TO OFF-WHITE AMORPHOUS POWDER

Uses

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.