6-Chloro-2H-3,1-benzoxazine-2,4(1H)-dione

Basic Information

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CAS Number

4743-17-3

Molecular Formula

C8H4ClNO3

Molecular Weight

197.58 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

300 °C (dec.)

SMILES

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C1=CC2=C(C=C1Cl)C(=O)OC(=O)N2

InChI

InChI=1S/C8H4ClNO3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,(H,10,12)

InChIKey

MYQFJMYJVJRSGP-UHFFFAOYSA-N

LogP

1.1346999999999996

Topological Polar Surface Area

63.07 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

256

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

Sensitiveness

对湿度敏感

Synonyms & References

English

NSC139890
6-Chloro-1,2-dihydro -4H-3,1-benzoxazine-2,4-dione
EN300-255835
C2743
SY025838
6-Chloro-1,2-dihydro-4H-3,1-benzoxazine-2,4-dione
NSC75847
6-chloro-2H-benzo[d][1,3]oxazine-2,4(1H)-dione
F0074-0091
A7268
AI3-61136
AKOS000271184
NSC 75847
MFCD00006701
2H-3,4(1H)-dione, 6-chloro-
AC-14653
EINECS 225-255-7
4743-17-3
5-chloroisatonic anhydride
6-Chloro isatinic anhydride
NSC 139890
6-Chloro-2H-3,1-benzoxazine-2,4(1H)-dione
FT-0635421
6-Chloro-2H-3,1-benzoxazine-2,4(1H)-dione #
2H-3,1-Benzoxazine-2,4(1H)-dione, 6-chloro-
NSC-139890
NS00031689
Q-102085
AC-9247
CS-W010558
6-chloro-1H-3,1-benzoxazine-2,4-dione

MDL Number

MFCD00006701

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 6-Chloro-2H-3,1-benzoxazine-2,4(1H)-dione (CAS: 4743-17-3)?

6-Chloro-2H-3,1-benzoxazine-2,4(1H)-dione is a crystalline solid with a molecular weight of approximately 216.01 g/mol. It has limited water solubility and is generally soluble in organic solvents like ethanol and acetone. The compound exhibits moderate acidity and can undergo reactions such as nucleophilic substitution and electrophilic aromatic substitution. It is stable under normal conditions but requires attention to avoid prolonged exposure to strong bases or reducing agents.

How is 6-Chloro-2H-3,1-benzoxazine-2,4(1H)-dione (CAS: 4743-17-3) typically synthesized?

6-Chloro-2H-3,1-benzoxazine-2,4(1H)-dione can be synthesized through the condensation of 2-chloro-3,1-benzoxazine-4-one with appropriate reagents. Common methods include the use of acetic anhydride in the presence of a catalyst such as p-toluenesulfonic acid. The reaction typically proceeds with good selectivity and moderate to high yields, depending on the specific conditions and reagents used.

What industries use 6-Chloro-2H-3,1-benzoxazine-2,4(1H)-dione (CAS: 4743-17-3)?

6-Chloro-2H-3,1-benzoxazine-2,4(1H)-dione is used in various industries. It is a key intermediate in the synthesis of pharmaceuticals, particularly for the production of certain analgesics and antipyretics. It also finds applications in the development of sensors and in the formulation of certain polymer additives. Due to its electronic properties, it is explored in the field of semiconductor materials for specific applications.

What precautions should be taken when handling 6-Chloro-2H-3,1-benzoxazine-2,4(1H)-dione (CAS: 4743-17-3)?

When handling 6-Chloro-2H-3,1-benzoxazine-2,4(1H)-dione, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately, and proper disposal methods should be followed. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety instructions and emergency procedures.