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1123-49-5

1123-49-5 Structure

1123-49-5 Structure
IdentificationBack Directory
[Name]

3,5-DIMETHYL-4-NITROISOXAZOLE
[CAS]

1123-49-5
[Synonyms]

AKOS B022232
ART-CHEM-BB B022232
3,5-DIMETHYL-4-NITROISOXAZOLE
4-nitro-3,5-diMethylisoxazole
Isoxazole, 3,5-dimethyl-4-nitro-
3,5-DIMETHYL-4-NITROISOXAZOLE 98%
3,5-Dimethyl-4-nitroisoxazole ,98%
[Molecular Formula]

C5H6N2O3
[MDL Number]

MFCD00051656
[MOL File]

1123-49-5.mol
[Molecular Weight]

142.11
Chemical PropertiesBack Directory
[Melting point ]

67-69 °C(lit.)
[Boiling point ]

241.4℃
[density ]

1.293
[Fp ]

99.8℃
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

-3.68±0.28(Predicted)
[color ]

White to Light yellow
[InChI]

1S/C5H6N2O3/c1-3-5(7(8)9)4(2)10-6-3/h1-2H3
[InChIKey]

PMQFLWLYAXYFHG-UHFFFAOYSA-N
[SMILES]

Cc1noc(C)c1[N+]([O-])=O
Hazard InformationBack Directory
[Chemical Properties]

White to off-white solid
[Uses]

3,5-Dimethyl-4-nitroisoxazole was used in the synthesis of:
  • series of methylene bis-isoxazolo[4,5-b]azepines, via reaction with methylene bis-chalcones
  • phenylmethylene bis-isoxazolo[4,5-b]azepine derivatives
  • 3-arylglutaric acids, bis-isoxazoles and bis-pyrazoles
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-37/39
[WGK Germany ]

3
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Diethyl ether-->Sulfuric acid-->Nitric acid-->Calcium chloride-->3,5-Dimethylisoxazole
[Preparation Products]

3,5-Dimethyl-4-nitro-1H-pyrazole-->5-Isoxazolecarboxaldehyde,3-methyl-4-nitro-(7CI,8CI,9CI)
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-DIMETHYL-4-NITROISOXAZOLE(1123-49-5)1HNMR
3,5-DIMETHYL-4-NITROISOXAZOLE(1123-49-5)Raman
3,5-DIMETHYL-4-NITROISOXAZOLE(1123-49-5)FT-IR
3,5-DIMETHYL-4-NITROISOXAZOLE(1123-49-5)IR
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