Dibenzosuberenone

Modify Date: 2026-07-04 07:07:49

Dibenzosuberenone Structure
Dibenzosuberenone structure
Common Name Dibenzosuberenone
CAS Number 2222-33-5 Molecular Weight 206.239
Density 1.2±0.1 g/cm3 Boiling Point 363.9±22.0 °C at 760 mmHg
Molecular Formula C15H10O Melting Point 87-88 °C(lit.)
MSDS Chinese USA Flash Point 160.2±17.3 °C

 Names

Name dibenzo[1,2-a:1',2'-e][7]annulen-11-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 363.9±22.0 °C at 760 mmHg
Melting Point 87-88 °C(lit.)
Molecular Formula C15H10O
Molecular Weight 206.239
Flash Point 160.2±17.3 °C
Exact Mass 206.073166
PSA 17.07000
LogP 2.49
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.643
InChIKey SNVTZAIYUGUKNI-UHFFFAOYSA-N
SMILES O=c1c2ccccc2ccc2ccccc12
Storage condition Refrigerator

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
HP1147500
CHEMICAL NAME :
5H-Dibenzo(a,d)cyclohepten-5-one
CAS REGISTRY NUMBER :
2222-33-5
BEILSTEIN REFERENCE NO. :
0743171
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C15-H10-O
MOLECULAR WEIGHT :
206.25

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02244

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xi
Risk Phrases R36/37/38
Safety Phrases S24/25
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS HP1147500
HS Code 2914399090

 Synthetic Route

 Customs

HS Code 2914399090
Summary 2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

 DibenzosuberenoneBioassay

View more

Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
Name: Absorbance-based primary biochemical high throughput screening assay to identify acti...
Source: The Scripps Research Institute Molecular Screening Center
Target: caspase-3 preproprotein [Homo sapiens]
External Id: PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN
Name: uHTS identification of small molecule modulators of NR3A
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: SBCCG-A1015-NR3A-Primary-Assay
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 Synonyms

Dibenzo(b,f)cyclohepten-1-one
5H-Dibenzo(a,d)cycloheptenone
Dibenzosuberenone
5H-Dibenzo[a,d]cyclohepten-5-one
2,3:6,7-Dibenzotropone
Dibenzo(a,d)cyclohepten-5-one
5-Dibenzosuberenone
5H-Dibenzo[a,d][7]annulen-5-one
Dibenzo[a,d]cyclohepten-5-one
MFCD00003588
2,3:6,7-Dibenzosuberen-4-on-1
EINECS 218-737-3
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