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5-Dibenzosuberenone

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5-Dibenzosuberenone Basic information

Product Name:
5-Dibenzosuberenone
Synonyms:
  • Cyproheptadine Impurity B
  • Cyproheptadine impurity B (5h-dibenzo A, D cycloheptene-5-one)
  • 5H-DIBENZO[A,D]CYCLOHEPTEN-5-ONE
  • 5H-DIBENZO(A,D)CYCLOHEPTENE-5-OL
  • 5-DIBENZOSUBERENONE
  • Dibenzosuberenone,97%
  • Dibenzo[a,d]cyclohepten-5-one
  • NSC 86151
CAS:
2222-33-5
MF:
C15H10O
MW:
206.24
EINECS:
218-737-3
Product Categories:
  • Others chemical reagents
  • Aromatics
  • Pharmaceutical Intermediates
  • API intermediates
  • intermediate of cyclobenzaprine, cyproheptadine, d
  • Intermediates
Mol File:
2222-33-5.mol
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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)
Flash point:
>110℃
storage temp. 
Sealed in dry,Room Temperature
solubility 
Chloroform (Slightly), Ethyl Acetate (Slightly)
form 
Crystalline Powder
Specific Gravity
1.156
color 
White to pale yellow or beige
Water Solubility 
Soluble in chloroform, ethyl acetate. Insoluble in water.
BRN 
743171
InChIKey
SNVTZAIYUGUKNI-UHFFFAOYSA-N
LogP
3.508 at 25℃
CAS DataBase Reference
2222-33-5(CAS DataBase Reference)
NIST Chemistry Reference
5H-Dibenzo[a,d]cyclohepten-5-one(2222-33-5)
EPA Substance Registry System
5H-Dibenzo[a,d]cyclohepten-5-one (2222-33-5)
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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
Toxicity
mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02244,

MSDS

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5-Dibenzosuberenone Usage And Synthesis

Chemical Properties

5-Dibenzosuberenone is white to pale yellow or beige crystalline powder

Uses

5-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

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