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Substance Name: Dibenzsuberone
RN: 1210-35-1
UNII: 8ETK71TH0H
InChIKey: BMVWCPGVLSILMU-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C15-H12-O

Molecular Weight

  • 208.2588
 
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Names and Synonyms

Name of Substance

  • Dibenzsuberone

Synonyms

  • 10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-one
  • 10,11-Dihydrodibenzo(a,d)cycloheptanone
  • 10,11-Dihydrodibenzo(a,d)cyclohepten-5-one
  • 2,3:6,7-Dibenzosuberone
  • CCRIS 2780
  • Dibenzo(a,d)cyclohepta(1,4)dien-5-one
  • Dibenzo(a,d)cycloheptadien-5-one
  • Dibenzocycloheptenone
  • Dibenzosuberan-5-one
  • Dibenzosuberone
  • EC 214-912-3
  • EINECS 214-912-3
  • NSC 49727
  • UNII-8ETK71TH0H

Systematic Names

  • 10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-one
  • 5H-Dibenzo(a,d)cyclohepten-5-one, 10,11-dihydro-
  • Dibenzo(b,f)cycloheptan-1-one
  • Dibenzosuberone

Registry Numbers

CAS Registry Number

  • 1210-35-1

FDA UNII

  • 8ETK71TH0H

System Generated Number

  • 0001210351

Structure Descriptors

InChI

1S/C15H12O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8H,9-10H2

InChIKey

BMVWCPGVLSILMU-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)CCc3ccccc3C2=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1800uL/kg (1.8mL/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: COMA

BEHAVIORAL: ATAXIA
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 186, 1992.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 30 deg C   EXP
log P (octanol-water) 4.530 (none)   EST
Atmospheric OH Rate Constant 1.11E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.