3-Chlorobenzophenone Chemical Properties

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 Information

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

MSDS

• Language:English Provider:(3-Chlorophenyl)(phenyl)methanone
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

3-Chlorobenzophenone Usage And Synthesis

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.

3-Chlorobenzophenone(1016-78-0)Related Product Information

• 4-CHLORODIPHENYLAMINE
• N-(2,4-Dichlorophenyl)benzenamine
• Levocetetrizine N-Oxide
• (RS)-2-[2-[4-[(2-Chloro-phenyl)phenylMethyl]piperazin-1-yl]ethoxy]aceticAcidDihydrochloride
• Cetirizine Ethyl Ester (USP RC A)
• Cetirizine Glycerol Ester
• Cetirizine EP Impurity E
• 2(2-HYDROXYETHOXY)ACETAMIDE
• rac Cetirizine N-Oxide > 70% by HPLC (Mixture of Diastereomers)
• 1,4-BIS[(4-CHLOROPHENYL)PHENYLMETHYL]PIPERAZINE DIHYDROCHLORIDE
• Cetirizine EP Impurity B(base)
• (2-CHLORO-PHENYL)-PHENYL-AMINE
• Cetirizine Related Compound C
• 4-Chlorobenzophenone
• Cetirizine Polyethylene Glycol (PEG) Ester
• Cetirizine EP Impurity F
• Cetirizine Methyl Ester
• 2-HYDROXY-N-PHENYLACETAMIDE