CAS 604-59-1|7,8-Benzoflavone

Introduction：Basic information about CAS 604-59-1|7,8-Benzoflavone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. 7,8-Benzoflavone BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
5. Safety Information
6. Customs
7. Articles42
8. Synonyms

Common Name	7,8-Benzoflavone
CAS Number	604-59-1	Molecular Weight	272.297
Density	1.3±0.1 g/cm3	Boiling Point	460.9±45.0 °C at 760 mmHg
Molecular Formula	C₁₉H₁₂O₂	Melting Point	153-157 °C(lit.)
MSDS	USA	Flash Point	215.8±22.3 °C

Names

Name	α-naphthoflavone
Synonym	More Synonyms

7,8-Benzoflavone BiologicalActivity

Description	Alpha-Naphthoflavone is a synthetic flavonoid, acts as a potent and competitive aromatase inhibitor with an IC50 and a Ki of 0.5 and 0.2 μM, respectively[1].
Related Catalog	Research Areas >>CancerSignaling Pathways >>Others >>Aromatase
Target	IC50: 0.5 μM (Aromatase)[1] Ki: 0.2 μM (Aromatase)[1]
References	[1]. Campbell DR, et al. Flavonoid inhibition of aromatase enzyme activity in human preadipocytes. J Steroid Biochem Mol Biol. 1993 Sep;46(3):381-8.

Chemical & Physical Properties

Density	1.3±0.1 g/cm3
Boiling Point	460.9±45.0 °C at 760 mmHg
Melting Point	153-157 °C(lit.)
Molecular Formula	C₁₉H₁₂O₂
Molecular Weight	272.297
Flash Point	215.8±22.3 °C
Exact Mass	272.083740
PSA	30.21000
LogP	4.79
Vapour Pressure	0.0±1.1 mmHg at 25°C
Index of Refraction	1.695
InChIKey	VFMMPHCGEFXGIP-UHFFFAOYSA-N
SMILES	O=c1cc(-c2ccccc2)oc2c1ccc1ccccc12
Storage condition	2-8°C
Stability	Stable. Incompatible with strong oxidizing agents.

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: QL6250000

CHEMICAL NAME :: 4H-Naphtho(1,2-b)pyran-4-one, 2-phenyl-

CAS REGISTRY NUMBER :: 604-59-1

BEILSTEIN REFERENCE NO. :: 0210862

LAST UPDATED :: 199701

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C19-H12-O2

MOLECULAR WEIGHT :: 272.31

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :: Sister chromatid exchange

TEST SYSTEM :: Rodent - hamster Ovary

DOSE/DURATION :: 40 umol/L

REFERENCE :: CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 47,3662,1987

Safety Information

Personal Protective Equipment	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes	Xi,Xn,C,F
Risk Phrases	68-34-11
Safety Phrases	S24/25-S36/37
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	QL6250000
HS Code	2914399090

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%

Articles42

Development and validation of a liquid-chromatography high-resolution tandem mass spectrometry approach for quantification of nine cytochrome P450 (CYP) model substrate metabolites in an in vitro CYP inhibition cocktail.

Anal. Bioanal. Chem 406(18) , 4453-64, (2014)

Knowledge about the cytochrome P450 (CYP) inhibition potential of new drug candidates is important for drug development because of its risk of interactions. For novel psychoactive substances (NPS), co...

In vitro cytochrome P450 inhibition potential of methylenedioxy-derived designer drugs studied with a two-cocktail approach.

Arch. Toxicol. 90 , 305-18, (2016)

In vitro cytochrome P450 (CYP) inhibition assays are common approaches for testing the inhibition potential of drugs for predicting potential interactions. In contrast to marketed medicaments, drugs o...

Cytochrome P450 inhibition potential of new psychoactive substances of the tryptamine class.

Toxicol. Lett. 241 , 82-94, (2015)

New psychoactive substances (NPS) are not tested for their cytochrome P450 (CYP) inhibition potential before consumption. Therefore, this potential was explored for tryptamine-derived NPS (TDNPS) incl...

Synonyms

Benzo[h]flavone

2-phenylbenzo[h]chromen-4-one

4H-Naphtho[1,2-b]pyran-4-one, 2-phenyl-

α-Naphthylflavone

2-Phenyl-4H-benzo[h]chromen-4-one

2-Phenylbenzo(h)chromen-4-one

a-Naphthylflavone

2-Phenyl-benzo[h]chromen-4-one

alpha-naphthoflavone

7,8-Benzoflavone

MFCD00004985

a-Naphthoflavone

α-Naphthoflavone

2-Phenyl-4H-naphtho[1,2-b]pyran-4-one

EINECS 210-071-1

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