7-Amino-4-(trifluoromethyl)-2H-chromen-2-one

Basic Information

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CAS Number

53518-15-3

Molecular Formula

C10H6F3NO2

Molecular Weight

229.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

221-222 °C

Boiling Point

314.6°Cat760mmHg

Density

1.4096 (estimate)

Water Solubility

Soluble in dimethyl sulfoxide (25 mg/ml), dimethyl formamide (25 mg/ml), and methanol (25 mg/ml). Insoluble in water.

Flash Point

144.1°C

SMILES

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C1=CC2=C(C=C1N)OC(=O)C=C2C(F)(F)F

InChI

InChI=1S/C10H6F3NO2/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4H,14H2

InChIKey

JBNOVHJXQSHGRL-UHFFFAOYSA-N

LogP

2.394

Topological Polar Surface Area

56.230000000000004 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

337

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Maybridge1_007017
7-Amino-4-(trifluoromethyl)-2H-chromen-2-one #
HY-D0981
SR-01000597171
NSC 337981
SMR000034073
EINECS 258-599-1
7-Amino-4-(trifluoromethyl)-2H-chromen-2-one
cid_100641
NSC337981
F52993
P5QQ8K4F5Q
MLS000080824
7-Amino-4-trifluoromethyl-chromen-2-one
4-(Trifluoromethyl)-7-aminocoumarin
BDBM83209
A15632
MFCD00006858
DTXSID0068862
Coumarin 490
Coumarin 151;AFC
SY021557
s9363
CHEBI:51772
7-Amino-4-(trifluoromethyl)-2-benzopyrone
InChI=1/C10H6F3NO2/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4H,14H2
7-amino-4-trifluoromethylcoumarine
CHEMBL1301731
Q27122739
2H-1-Benzopyran-2-one, 7-amino-4-(trifluoromethyl)-
regid857055

MDL Number

MFCD00006858

Customs Code

2932209090

FAQ

What regulatory guidelines apply to 7-Amino-4-(trifluoromethyl)-2H-chromen-2-one (CAS: 53518-15-3)?

The compound 7-Amino-4-(trifluoromethyl)-2H-chromen-2-one (CAS: 53518-15-3) is subject to various regulatory guidelines. Under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), it may require specific hazardous labels and safety data sheets. In the European Union, it is regulated under REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) for potential health and environmental impacts. Additionally, the FDA and EPA may have specific requirements for its use in pharmaceuticals and environmental releases, respectively. Compliance with these guidelines is crucial for safe handling and use.

Are there alternatives to 7-Amino-4-(trifluoromethyl)-2H-chromen-2-one (CAS: 53518-15-3) in synthesis?

While 7-Amino-4-(trifluoromethyl)-2H-chromen-2-one (CAS: 53518-15-3) is a valuable intermediate in organic synthesis, there are alternatives that can serve similar purposes. For instance, using 4-(trifluoromethyl)-2H-chromen-2-one or related chromenone derivatives can offer comparable functionality. Reagents such as 2,4-difluorobenzaldehyde and 2,4-difluorophenylacetic acid are suitable substitutes in certain syntheses, providing similar structural frameworks and reactivity patterns.

What is the market or research trend for 7-Amino-4-(trifluoromethyl)-2H-chromen-2-one (CAS: 53518-15-3)?

The market and research trends for 7-Amino-4-(trifluoromethyl)-2H-chromen-2-one (CAS: 53518-15-3) are predominantly driven by its applications in pharmaceuticals and agrochemicals. Increasing research efforts are focusing on its use as a precursor in the development of novel drugs and pesticide formulations. Market demand is expected to grow as new chemical entities incorporating this chromenone framework are discovered and developed. Additionally, there is a trend towards exploring its potential in biocatalysis and green chemistry processes.

How should waste containing 7-Amino-4-(trifluoromethyl)-2H-chromen-2-one (CAS: 53518-15-3) be handled?

Proper handling of waste containing 7-Amino-4-(trifluoromethyl)-2H-chromen-2-one (CAS: 53518-15-3) is crucial to ensure environmental and occupational safety. Waste should be collected in appropriate containers and disposed of through incineration or professional waste disposal services. Environmental protection measures include minimizing the release of waste into the environment and ensuring compliance with local and international waste management regulations. Hazardous waste should be labeled and stored in a secure, well-ventilated area until disposal. Compliance with EPA and OSHA guidelines is essential for safe waste management practices.