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2222-33-5

2222-33-5 Structure

2222-33-5 Structure
IdentificationMore
[Name]

5-Dibenzosuberenone
[CAS]

2222-33-5
[Synonyms]

5-DIBENZOSUBERENONE
5H-DIBENZO[A,D]CYCLOHEPTEN-5-ONE
5H-DIBENZO(A,D)CYCLOHEPTENE-5-OL
DIBENZO[A,B] CYCLOHEPTEN-5-ONE
DIBENZO[A,D]-CYCLOHEPTENE-5-ONE
DIBENZOSUBERENONE
DIBENZOSUBERENONE-5
2,3,6,7-Dibenzotropone
2,3:6,7-Dibenzosuberen-4-on-1
2,3:6,7-Dibenzotropone
5H-Dibenzo[,d]cyclohepten-5-one
5H-Dibenzo[a,d]cycloheptenone
Dibenzo[,d]cycloheptatrien-5-one
H-Dibenzo(a,d)cyclohepten-5-one
5H-dibenzo[a,d][7]annulen-5-one
dibenzo[b,f]cyclohepten-1-one
Dibenzosberenone
5H-DIBENZO[A,D]CYCLOHEPTENE-5-ONE
[EINECS(EC#)]

218-737-3
[Molecular Formula]

C15H12O
[MDL Number]

MFCD00003588
[Molecular Weight]

208.26
[MOL File]

2222-33-5.mol
Chemical PropertiesBack Directory
[Appearance]

white to pale yellow or beige crystalline powder
[Melting point ]

87-88 °C (lit.)
[Boiling point ]

210 °C / 3mmHg
[density ]

1.0701 (rough estimate)
[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 Gravity]

1.156
[Water Solubility ]

Soluble in chloroform, ethyl acetate. Insoluble in water.
[BRN ]

743171
[InChIKey]

SNVTZAIYUGUKNI-UHFFFAOYSA-N
[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]

2222-33-5(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

3077
[WGK Germany ]

3
[RTECS ]

HP1147500
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HazardClass ]

9
[PackingGroup ]

III
[HS Code ]

29143990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Hydrochloric acid-->Ethyl acetate-->Dichloromethane-->N,N-Dimethylformamide-->PETROLEUM ETHER-->Sodium sulfate-->Benzene-->Pyridine-->Carbon tetrachloride-->N-Bromosuccinimide-->2,2'-Azobis(2-methylpropionitrile)-->1,5-Diazabicyclo[4.3.0]non-5-ene-->Dibenzosuberone
[Preparation Products]

DBCO-NHS Ester-->desmethylcyproheptadine
Hazard InformationBack Directory
[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
Spectrum DetailBack Directory
[Spectrum Detail]

5-Dibenzosuberenone(2222-33-5)MS
5-Dibenzosuberenone(2222-33-5)1HNMR
5-Dibenzosuberenone(2222-33-5)13CNMR
5-Dibenzosuberenone(2222-33-5)IR1
5-Dibenzosuberenone(2222-33-5)IR2
5-Dibenzosuberenone(2222-33-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Dibenzosuberenone, 97%(2222-33-5)
[Alfa Aesar]

Dibenzosuberenone, 97%(2222-33-5)
[Sigma Aldrich]

2222-33-5(sigmaaldrich)
[TCI AMERICA]

Dibenzosuberenone,>97.0%(GC)(2222-33-5)
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