3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid

Basic Information

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CAS Number

3468-01-7

Molecular Formula

C17H12O4

Molecular Weight

280.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

234.0 to 238.0 deg-C

Boiling Point

485.1 °C at 760 mmHg

Density

1.335

Flash Point

183.3 °C

Refractive Index

1.642

Vapor Pressure

0.0±1.3 mmHg at 25°C

SMILES

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CC1=C(OC2=C(C1=O)C=CC=C2C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C17H12O4/c1-10-14(18)12-8-5-9-13(17(19)20)16(12)21-15(10)11-6-3-2-4-7-11/h2-9H,1H3,(H,19,20)

InChIKey

KMMBBZOSQNLLMN-UHFFFAOYSA-N

LogP

3.4666200000000007

Topological Polar Surface Area

67.51 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

473

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

CHEBI:61237
M2371
O8RCM70C48
NS00020798
3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid
MFCD00040998
MFCA (3-Methylflavone-8-carboxylic acid)
EINECS 222-425-2
Flavoxate impurity A
UNII-O8RCM70C48
3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid
SR-01000041080
3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid #
EN300-17190
3-Methylflavone-8-carboxaldehyde
3-Methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylic acid
FLAVOXATE HYDROCHLORIDE IMPURITY A [EP IMPURITY]
AKOS000120623
FT-0671781
SCHEMBL2480956
3-Methylflavone-8-carboxylic acid (MFCA)
HMS1409M01
VS-02315
4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-
SR-01000041080-1
DTXSID00188231
LMPK12113395
W-106715
3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylicacid
Q27130916
FT-0616159

MDL Number

MFCD00040998

Customs Code

2932999099

FAQ

What regulatory guidelines apply to 3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid (CAS: 3468-01-7)?

3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid (CAS: 3468-01-7) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations, and FDA guidelines for chemical safety. Manufacturers and suppliers must ensure compliance with these regulations for classification, labeling, and handling of the compound. EPA regulations also apply for the disposal of waste containing this compound.

Are there alternatives to 3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid (CAS: 3468-01-7) in synthesis?

Several alternatives to 3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid (CAS: 3468-01-7) exist in synthesis, including similar chromene derivatives with different substituents or isomers. Common alternatives include 3-hydroxy-2-phenylchromene and 4-hydroxy-3-methyl-2-phenylchromene. These alternatives can offer similar functional properties but with varying degrees of reactivity and solubility.

What is the market or research trend for 3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid (CAS: 3468-01-7)?

The market for 3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid (CAS: 3468-01-7) is driven by its applications in pharmaceuticals, dyes, and functional materials. Research trends focus on its potential as a precursor for the development of new drugs and materials. Market trends show increasing demand due to its unique chemical properties and growing interest in its potential applications in various industries.

How should waste containing 3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid (CAS: 3468-01-7) be handled?

Waste containing 3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid (CAS: 3468-01-7) should be collected in appropriate containers and handled according to local and national waste management regulations. Incineration is a common method for disposal, but professional waste disposal services are recommended. Environmental protection measures include ensuring proper ventilation and using personal protective equipment during handling to prevent exposure and release of the compound into the environment.