5-Fluoro-2H-3,1-benzoxazine-2,4(1H)-dione

Basic Information

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CAS Number

78755-94-9

Molecular Formula

C8H4FNO3

Molecular Weight

181.12 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

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Density

1.502

SMILES

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C1=CC2=C(C(=C1)F)C(=O)OC(=O)N2

InChI

InChI=1S/C8H4FNO3/c9-4-2-1-3-5-6(4)7(11)13-8(12)10-5/h1-3H,(H,10,12)

InChIKey

VAAIGNBVENPUEI-UHFFFAOYSA-N

LogP

0.6203999999999998

Topological Polar Surface Area

63.07 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

256

Synonyms & References

English

6-fluoroisatoic acid anhydride
Z1094720984
6-fluoro isatoic anhydride
J-018665
VAAIGNBVENPUEI-UHFFFAOYSA-N
5-fluoro-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione
SCHEMBL1203402
SY064740
AB13979
78755-94-9
MFCD00112979
5-Fluoro-2H-3,1-benzoxazine-2,4(1H)-dione
5-Fluoro-1H-benzo[d][1,3]oxazine-2,4-dione
5-fluorobenzo[d][1,3]oxazine-2,4-dione
CS-0045056
DTXSID00382419
EN300-200751
6-fluoroisatoicanhydride
5-fluoro-1H-3,1-benzoxazine-2,4-dione
AKOS005070888
6W-0030
FT-0653182
6-?Fluoroisatoic anhydride
6-Fluoro-isatoicanhydride
5-Fluoroisatoic anhydride
6-fluoroisatoic anhydride

MDL Number

MFCD00112979

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 5-Fluoro-2H-3,1-benzoxazine-2,4(1H)-dione (CAS: 78755-94-9)?

5-Fluoro-2H-3,1-benzoxazine-2,4(1H)-dione is a crystalline solid at room temperature. Its molecular weight is approximately 190.12 g/mol. It is slightly soluble in water and more soluble in organic solvents. It shows moderate reactivity with nucleophiles and is stable under normal conditions, but it may decompose at high temperatures or in alkaline conditions.

How is 5-Fluoro-2H-3,1-benzoxazine-2,4(1H)-dione (CAS: 78755-94-9) typically synthesized?

5-Fluoro-2H-3,1-benzoxazine-2,4(1H)-dione can be synthesized through a multistep reaction involving the condensation of 2-fluorobenzaldehyde with 1,3-dioxane-2,4-dione. This process requires careful control of the reaction conditions to achieve high yields and selectivity. Commonly used catalysts include acids like sulfuric acid or phosphoric acid.

What industries use 5-Fluoro-2H-3,1-benzoxazine-2,4(1H)-dione (CAS: 78755-94-9)?

5-Fluoro-2H-3,1-benzoxazine-2,4(1H)-dione is used in various industries, particularly in pharmaceuticals for its potential as an intermediate in drug synthesis. It also finds applications in the production of polymers and in the development of sensors. Due to its unique chemical properties, it is also explored in the semiconductor industry for specific applications.

What precautions should be taken when handling 5-Fluoro-2H-3,1-benzoxazine-2,4(1H)-dione (CAS: 78755-94-9)?

When handling 5-Fluoro-2H-3,1-benzoxazine-2,4(1H)-dione, proper personal protective equipment (PPE) should be worn, including gloves and safety goggles. This compound should be handled in a well-ventilated area or a fume hood to avoid inhalation. Spills should be handled by collecting the material and disposing of it according to local hazardous waste regulations. Always refer to the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) for detailed safety information.