5-Dibenzosuberenone

5-Dibenzosuberenone Basic information
Product Name:5-Dibenzosuberenone
Synonyms:5H-DIBENZO(A,D)CYCLOHEPTENE-5-OL;5-DIBENZOSUBERENONE;Dibenzosuberenone,97%;NSC 86151;Cyclobenzaprine Dibenzosuberenone IMpurity;Cyproheptadine IMpurity B (Dibenzosuberenone);5-Dibenzosuberenone, 98%+;5-Dibenzosuberenone 97%
CAS:2222-33-5
MF:C15H10O
MW:206.24
EINECS:218-737-3
Product Categories:Others chemical reagents;Aromatics;Intermediates;API intermediates;intermediate of cyclobenzaprine, cyproheptadine, d;Pharmaceutical Intermediates
Mol File:2222-33-5.mol
5-Dibenzosuberenone Structure
5-Dibenzosuberenone Chemical Properties
Melting point 87-88 °C (lit.)
Boiling point 210 °C / 3mmHg
density 1.0701 (rough estimate)
vapor pressure 0.006Pa at 25℃
refractive index 1.6324 (estimate)
Fp >110℃
storage temp. Sealed in dry,Room Temperature
solubility Chloroform (Slightly), Ethyl Acetate (Slightly)
form Crystalline Powder
color White to pale yellow or beige
Specific Gravity1.156
Water Solubility Soluble in chloroform, ethyl acetate. Insoluble in water.
BRN 743171
InChIKeySNVTZAIYUGUKNI-UHFFFAOYSA-N
LogP3.508 at 25℃
CAS DataBase Reference2222-33-5(CAS DataBase Reference)
NIST Chemistry Reference5H-Dibenzo[a,d]cyclohepten-5-one(2222-33-5)
EPA Substance Registry System5H-Dibenzo[a,d]cyclohepten-5-one (2222-33-5)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 24/25-36-26
RIDADR 3077
WGK Germany 3
RTECS HP1147500
Hazard Note Irritant
TSCA Yes
HazardClass 9
PackingGroup III
HS Code 29143990
Toxicitymouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02244,
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
5-Dibenzosuberenone Usage And Synthesis
Chemical Properties5-Dibenzosuberenone is white to pale yellow or beige crystalline powder
Uses5-Dibenzosuberenone Can be used in the synthesis of a series of potent antidepressants.
Synthesis Reference(s)Journal of Medicinal Chemistry, 8, p. 886, 1965 DOI: 10.1021/jm00330a044
4-PIPERIDINO-2,3:6,7-DIBENZOCYCLOHEPTATRIENONE Benzophenone hydrazone 2,3:6,7-DIBENZOSUBERENONE CYCLOBENZAPRINE HCL Cycloheptatriene 5-Dibenzosuberenone CYPROHEPTADINE HYDROCHLORIDE IMP. B (EP): 5H-DIBENZO[A,D]CYCLOHEPTEN-5-ONE (DIBENZOSUBERENONE) 1-ETHYL-2-VINYL-BENZENE DIBENZOSUBERYL CHLORIDE Benzophenone CYCLOHEPTENE Dibenzosuberone CIS-STILBENE TROPONE 5H-dibenzo[a,d]cycloheptene DIETHYLPROPION Oxybenzone 2-Phenylacetophenone

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