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6-Chloro-2-methyl-4H-1,4-benzoxazin-3-one

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Identification
Molecular formula
C9H6ClNO2
CAS number
16854-82-5
IUPAC name
6-chloro-2-methyl-4H-1,4-benzoxazin-3-one
State
State

This compound is a solid at room temperature due to its relatively high melting point compared to room temperature.

Melting point (Celsius)
146.00
Melting point (Kelvin)
419.15
Boiling point (Celsius)
316.50
Boiling point (Kelvin)
589.65
General information
Molecular weight
195.61g/mol
Molar mass
195.6110g/mol
Density
1.3740g/cm3
Appearence

The compound is typically found as a crystalline solid. It is usually off-white to light yellow in color. The appearance may slightly vary depending on the purity and form of the compound.

Comment on solubility

Solubility of 6-chloro-2-methyl-4H-1,4-benzoxazin-3-one

When discussing the solubility of 6-chloro-2-methyl-4H-1,4-benzoxazin-3-one, several factors come into play that define its behavior in various solvents:

  • Polarity: The compound contains both aromatic and polar functional groups, influencing its solubility in polar versus non-polar solvents.
  • Polar Solvents: It tends to have limited solubility in highly polar solvents such as water due to its hydrophobic regions.
  • Non-Polar Solvents: Conversely, this compound may exhibit greater solubility in non-polar solvents like hexane or toluene, allowing for better dissolution in organic phases.
  • Temperature Impact: Solubility can significantly increase with temperature, making it crucial to control thermal conditions during any experimental procedures.
  • pH Effects: The presence of acidic or basic conditions can also alter the solubility profile of the compound, particularly if ionizable groups are part of the structure.

In conclusion, the solubility characteristics of 6-chloro-2-methyl-4H-1,4-benzoxazin-3-one illustrate the intricate balance between molecular structure and solvent interactions. Understanding its solubility behavior is essential for applications in both research and industrial settings.

Interesting facts

Interesting Facts about 6-Chloro-2-methyl-4H-1,4-benzoxazin-3-one

6-Chloro-2-methyl-4H-1,4-benzoxazin-3-one, often abbreviated as CBX, is a fascinating compound that belongs to the class of benzoxazines. Here are some intriguing points about this compound:

  • Structural Diversity: The presence of a chloro group and a methyl group in its structure offers unique reactivity patterns, making it a valuable intermediate in organic synthesis.
  • Biological Activity: Compounds derived from benzoxazine structures are known to exhibit a range of biological properties. Research has indicated that they can possess herbicidal and antimicrobial activity, showcasing their potential in agricultural and medicinal applications.
  • Polymer Science: Benzoxazines, including 6-chloro-2-methyl-4H-1,4-benzoxazin-3-one, are gaining attention in polymer science as they can be polymerized to form thermosetting materials with excellent thermal and mechanical properties.
  • Reaction Chemistry: The compound can undergo various chemical transformations, including electrophilic substitution and nucleophilic addition, which places it as a versatile synthetic building block.

As researchers continue to explore this compound, its potential applications seem promising, especially in the development of eco-friendly pesticides and advanced polymer materials. The study of benzoxazines is a vibrant area in organic chemistry, revealing the interconnectedness of small molecules and their vast applications in real-world scenarios.

Synonyms
5791-00-4
6-Chloro-2-methyl-2H-1,4-benzoxazin-3(4H)-one
2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl-
6-Chloro-2-methyl-2,3-dihydro-4H-1,4-benzoxazin-3-one
4H-1,4-BENZOXAZIN-3-ONE, 2,3-DIHYDRO-6-CHLORO-2-METHYL-
2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl-(9CI)
809-335-4
6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one
6-CHLORO-2-METHYL-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE
6-CHLORO-2-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE
6-chloro-2-methyl-4H-1,4-benzoxazin-3-one
MFCD01744501
SCHEMBL5670852
CHEMBL4559369
DTXSID70973499
MGOCBXKZDZRPMK-UHFFFAOYSA-N
ALBB-034098
FAA79100
AKOS006229490
AS-8097
MB02033
2-Methyl-6-chloro-1,4-benzoxazin-3-one
C3138
CS-0199170
6-Chloro-2-methyl-2H-1,4-benzoxazin-3-ol
EN300-93748
Z1270207948
6-Chloro-2-methyl-2H-1,4-benzoxazin-3(4H)-one, AldrichCPR