3-Amino-5-methylisoxazole
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3-Amino-5-methylisoxazole
structure -
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CAS No:
1072-67-9
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Formula:
C4H6N2O
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Chemical Name:
3-Amino-5-methylisoxazole
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Synonyms:
3-Isoxazolamine,5-methyl-;Isoxazole,3-amino-5-methyl-;5-Methyl-3-isoxazolamine;3-Amino-5-methylisoxazole;5-Methyl-3-aminoisoxazole;5-Methyl-3-isoxazolylamine;5-Methyl-1,2-oxazol-3-amine;NSC 159134;1195418-99-5
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CAS No:
3-Amino-5-methylisoxazole Basic Attributes
98.1
98.10
214-013-6
G54MJS11L9
159134
DTXSID9021631
29349990
Characteristics
52
0.1
slightly yellow flakes
1.1890 (rough estimate)
61-62 °C @ Solvent: Benzene
183.6°C (rough estimate)
96.5±21.8 °C
1.4327 (estimate)
soluble
Refrigerator
0.0487mmHg at 25°C
Safety Information
NONH for all modes of transport
3
5-36/37/38-11-36/37/38/5-20/21/22
22-24/25-47-37/39-26-16-26/37/39/47-36
Xi-F,Xi,F,Xn
Irritant
Stable under normal temperatures and pressures.
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Amino-5-methylisoxazole Use and Manufacturing
Derived from the degradation of 5-methylisoxazole-3-carboxamide. Firstly, quantitative chlorine was passed into 1.02 times sodium hydroxide solution below 23°C to obtain sodium hypochlorite solution. Add 5-methylisoxazole-3-carboxamide to sodium hypochlorite at 20-25°C and react for 2h. The sodium hydroxide solution was used to adjust the alkali concentration of the reaction solution to 5.6%, and then it was passed through a pipeline at 176°C and an internal pressure of about 0.75 MPa at a flow rate of 1.5 L/min. The effluent was extracted with chloroform, the extracts were combined, chloroform was recovered, and the residue was cooled to obtain 3-amino-5-methylisoxazole.
Sulfamethoxazole (SMX) (S699086) Impurity. A degradation product in water by a bioluminescence method during application of the electro-Fenton treatment.
3-Isoxazolamine, 5-methyl-: ACTIVE
Computed Properties
Molecular Weight:98.10
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:98.048012819
Monoisotopic Mass:98.048012819
Topological Polar Surface Area:52
Heavy Atom Count:7
Complexity:66.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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