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

Names

[ CAS No. ]:
2005-10-9

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

[Synonym ]:
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

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]:

Research Areas >> Others

Signaling Pathways >> Others >> Others

[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

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Related Compounds

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