6H-Dibenzo[b,d]pyran-6-one

Modify Date: 2024-01-03 16:23:28

6H-Dibenzo[b,d]pyran-6-one Structure
6H-Dibenzo[b,d]pyran-6-one structure
Common Name 6H-Dibenzo[b,d]pyran-6-one
CAS Number 2005-10-9 Molecular Weight 196.20100
Density 1.277g/cm3 Boiling Point 354.7ºC at 760 mmHg
Molecular Formula C13H8O2 Melting Point N/A
MSDS N/A Flash Point 148ºC

 Use of 6H-Dibenzo[b,d]pyran-6-one


3,4-Benzocoumarin is a kind of the expanded structure of coumarin derivatives.Coumarin is a chemical compound in the benzopyrone chemical class that can be found in many natural species. Coumarins possess variety of biological activities and unique photophysical properties[1]. 3,4-Benzocoumarin, a AOH‐like compound , has the sensibility of the antibody with an IC50 of 919.2 ng/mL[2].

 Names

Name benzo[c]chromen-6-one
Synonym More Synonyms

 6H-Dibenzo[b,d]pyran-6-one Biological Activity

Description 3,4-Benzocoumarin is a kind of the expanded structure of coumarin derivatives.Coumarin is a chemical compound in the benzopyrone chemical class that can be found in many natural species. Coumarins possess variety of biological activities and unique photophysical properties[1]. 3,4-Benzocoumarin, a AOH‐like compound , has the sensibility of the antibody with an IC50 of 919.2 ng/mL[2].
Related Catalog
References

[1]. Wang J, et al. Application of quantitative structure-activity relationship analysis on an antibody and alternariol-like compounds interaction study. J Mol Recognit. 2019 Jun;32(6):e2776.

[2]. Jung Y, et al. Benzo[g]coumarin-Based Fluorescent Probes for Bioimaging Applications. J Anal Methods Chem. 2018 Jun 14;2018:5249765.

 Chemical & Physical Properties

Density 1.277g/cm3
Boiling Point 354.7ºC at 760 mmHg
Molecular Formula C13H8O2
Molecular Weight 196.20100
Flash Point 148ºC
Exact Mass 196.05200
PSA 30.21000
LogP 2.94620
Vapour Pressure 3.3E-05mmHg at 25°C
Index of Refraction 1.642

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
HP8680000
CHEMICAL NAME :
6H-Dibenzo(b,d)pyran-6-one
CAS REGISTRY NUMBER :
2005-10-9
BEILSTEIN REFERENCE NO. :
0140721
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H8-O2
MOLECULAR WEIGHT :
196.21
WISWESSER LINE NOTATION :
T B666 HOVJ

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#00026

 Safety Information

Hazard Codes Xi

 Synthetic Route

 Synonyms

biphenyl-2,2'-carbolactone
benzo[c]benzopyran-2-one
6H-Dibenzo(b,d)pyran,6-oxo
benzocoumarin
dibenzo[b,d]pyran-6-one
6H-DIBENZO(b,d)PYRAN-6-ONE
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