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Substance Name: Chlorobenzone
RN: 81-45-8
InChIKey: FNCVZYRPXOZNSM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H12-Cl-N-O3

Molecular Weight

  • 361.783
 
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Names and Synonyms

Results Name

  • Chlorobenzone

Synonyms

  • 1-Benzamido-4-chloroanthraquinone
  • 1-Benzoylamino-2-chloroanthraquinone
  • 1-Benzoylamino-4-chloroanthraquinone
  • 1-Chloro-4-benzamidoanthraquinone
  • 1-Chloro-4-benzoylaminoanthraquinone
  • 1Ba-4-Xa
  • 1BA-4-XA [Russian]
  • 4-14-00-00441 (Beilstein Handbook Reference)
  • 4-Benzamido-1-chloroanthraquinone
  • AI3-61825
  • Anthraquinone, 1-benzamido-4-chloro-
  • BRN 2819875
  • Chlorobenzone
  • EINECS 201-350-9
  • NSC 39954

Systematic Names

  • Benzamide, N-(4-chloro-1-anthraquinonyl)-
  • Benzamide, N-(4-chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)-
  • N-(4-Chloro-9,10-dihydro-9,10-dioxo-1-anthryl)benzamide

Registry Numbers

CAS Registry Number

  • 81-45-8

System Generated Number

  • 0000081458

Structure Descriptors

InChI

1S/C21H12ClNO3/c22-15-10-11-16(23-21(26)12-6-2-1-3-7-12)18-17(15)19(24)13-8-4-5-9-14(13)20(18)25/h1-11H,(H,23,26)

InChIKey

FNCVZYRPXOZNSM-UHFFFAOYSA-N

Smiles

c12c(C(c3ccccc3C2=O)=O)c(ccc1NC(c1ccccc1)=O)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 5, Pg. 140, 1953.
rat LD50 intraperitoneal 2gm/kg (2000mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 21(12), Pg. 27, 1977.