CAS No.10558-25-5,4-Bromo-3,5-dimethylisoxazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10558-25-5
Name:	4-Bromo-3,5-dimethylisoxazole
Article Data:	6

Formula:	C₅H₆BrNO
Molecular Weight:	176.013
Synonyms:	4-bromo-3,5-dimethyl-oxazole;3,5-Dimethyl-4-bromoisoxazole;
EINECS:	-0
Density:	1.541 g/cm³
Melting Point:	176ºC(lit.)
Boiling Point:	215.149 °C at 760 mmHg
Flash Point:	83.919 °C
Appearance:	clear colorless to light yellow liquid
Safety:	24/25
PSA:	26.03000
LogP:	2.05390

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Specification

The 4-Bromo-3,5-dimethylisoxazole, with the CAS registry number 10558-25-5, is also known as 3,5-Dimethyl-4-bromoisoxazole. It belongs to the product categories of Blocks; Bromides; Oxazoles; Oxazole & Isoxazole; Halogenated Heterocycles; Heterocyclic Building Blocks; Isoxazoles; Isoxazoles Building Blocks. This chemical's molecular formula is C₅H₆BrNO and molecular weight is 176.01124. Its IUPAC name is called 4-bromo-3,5-dimethyl-1,2-oxazole. When you are using this chemical, please be cautious about it. You must avoid contacting it with skin and eyes.

Physical properties of 4-Bromo-3,5-dimethylisoxazole: (1)ACD/LogP: 1.77; (2)#H bond acceptors: 2; (3)Index of Refraction: 1.507; (4)Molar Refractivity: 33.98 cm³; (5)Molar Volume: 114.1 cm³; (6)Surface Tension: 36.7 dyne/cm; (7)Density: 1.541 g/cm³; (8)Flash Point: 83.9 °C; (9)Enthalpy of Vaporization: 43.31 kJ/mol; (10)Boiling Point: 215.1 °C at 760 mmHg; (11)Vapour Pressure: 0.219 mmHg at 25°C.

Uses of 4-Bromo-3,5-dimethylisoxazole: it can be used to produce 4-(2,6-dimethyl-phenyl)-3,5-dimethyl-isoxazole with (2,6-dimethylphenyl)-boronic acid at temperature of 110 °C. This reaction is a kind of Suzuki cross-coupling reaction. It will need reagents K₃PO₄, Pd₂(dba)₃, 9-[2-(Ph₂P)Ph]phenathrene and solvent toluene. The yield is about 60%.

4-Bromo-3,5-dimethylisoxazole can be used to produce 4-(2,6-dimethyl-phenyl)-3,5-dimethyl-isoxazole with (2,6-dimethylphenyl)-boronic acid

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C(=NO1)C)Br
(2)InChI: InChI=1S/C5H6BrNO/c1-3-5(6)4(2)8-7-3/h1-2H3
(3)InChIKey: GYHZPSUAMYIFQD-UHFFFAOYSA-N