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

Basic Information

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CAS Number

575-03-1

Molecular Formula

C10H5F3O3

Molecular Weight

230.14 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 Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

178-180 °C

Boiling Point

311.4 °C at 760 mmHg

Flash Point

142.2 °C

Solubility

DMF: soluble

Refractive Index

1.546

SMILES

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C1=CC2=C(C=C1O)OC(=O)C=C2C(F)(F)F

InChI

InChI=1S/C10H5F3O3/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4,14H

InChIKey

CCKWMCUOHJAVOL-UHFFFAOYSA-N

LogP

2.5174000000000003

Topological Polar Surface Area

50.44 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

335

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

7-Hydroxy-4-(trifluoromethyl)-2H-1-benzopyran-2-one
H1422
C10H5F3O3
NS00116334
SY048711
DTXSID80206109
InChI=1/C10H5F3O3/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4,14
7-Hydroxy-4-(trifluoromethyl)coumarin
7,4-Hfc
NSC 138174
4-(Trifluoromethyl)umbelliferone
beta-trifluoromethylumbelliferone
T72647
7-Hydroxy-4-(trifluoromethyl)coumarin, 98%
NSC-138174
MFCD00037578
HMS561A21
PD171465
2H-1-Benzopyran-2-one, 7-hydroxy-4-(trifluoromethyl)-
CHEMBL104679
575-03-1
CS-0010058
7-Hydroxy-4-(trifluoromethyl)-2H-chromen-2-one #
7-Hydroxy-4-(trifluoromethyl)-2H-chromen-2-one
CCG-245903
AKOS001044552
7-Hydroxy-4-trifluoromethylcoumarin
NSC138174
Maybridge1_006885
J-100243
FT-0621421

MDL Number

MFCD00037578

Customs Code

2932209090

FAQ

What are the physical and chemical properties of 7-Hydroxy-4-(trifluoromethyl)-2H-chromen-2-one (CAS: 575-03-1)?

7-Hydroxy-4-(trifluoromethyl)-2H-chromen-2-one is a crystalline solid with a molecular weight of 279.06 g/mol. It is sparingly soluble in water but more soluble in organic solvents such as ethanol and acetone. Chemically, it shows strong reactivity towards nucleophiles and can undergo various transformations such as reduction and substitution reactions.

How is 7-Hydroxy-4-(trifluoromethyl)-2H-chromen-2-one (CAS: 575-03-1) typically synthesized?

7-Hydroxy-4-(trifluoromethyl)-2H-chromen-2-one is commonly synthesized via Friedel-Crafts acylation of chromone derivatives with trifluoromethyl ketones under the use of Lewis acids like aluminum chloride. The reaction is typically conducted in dichloromethane or ethyl acetate, with high yield and good selectivity.

What industries use 7-Hydroxy-4-(trifluoromethyl)-2H-chromen-2-one (CAS: 575-03-1)?

7-Hydroxy-4-(trifluoromethyl)-2H-chromen-2-one is primarily used in the pharmaceutical industry for its potential as an intermediate in drug synthesis. It also finds applications in the polymer industry for its ability to act as a monomer, and in the semiconductor industry as a dopant material.

What precautions should be taken when handling 7-Hydroxy-4-(trifluoromethyl)-2H-chromen-2-one (CAS: 575-03-1)?

When handling 7-Hydroxy-4-(trifluoromethyl)-2H-chromen-2-one, it is important to wear appropriate personal protective equipment (PPE) such as gloves and goggles. Work should be conducted in a well-ventilated fume hood. In case of a spill, use appropriate spill cleanup materials and follow local safety regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling information.