Ethyl 5-methylisoxazole-3-carboxylate
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Ethyl 5-methylisoxazole-3-carboxylate
structure -
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CAS No:
3209-72-1
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Formula:
C7H9NO3
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Chemical Name:
Ethyl 5-methylisoxazole-3-carboxylate
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Synonyms:
3-Isoxazolecarboxylic acid,5-methyl-,ethyl ester;Ethyl 5-methylisoxazole-3-carboxylate;5-Methylisoxazole-3-carboxylic acid ethyl ester;Ethyl 5-methylisoxazle-3-carboxylate
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CAS No:
Ethyl 5-methylisoxazole-3-carboxylate Basic Attributes
155.15
155.15
221-720-3
DTXSID60185887
2934999090
Characteristics
52.3
1.05
Low melting solid or Liquid
1.1±0.1 g/cm3
25 °C
130 °C @ Press: 33 Torr
77-79°C/0.5mm
1.468
It is insoluble in water.
Safety Information
IRRITANT
3
R36/37/38:Irritating to eyes, respiratory system and skin .
24/25
Xi
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302+H312+H332
|Warning|H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Ethyl 5-methylisoxazole-3-carboxylate Use and Manufacturing
Diethyl oxalate is condensed with acetone under alkaline conditions to generate ethyl acetylacetonate, which is then cyclized with hydroxylamine hydrochloride to obtain the product.
Sulfamethoxazole intermediate.
Computed Properties
Molecular Weight:155.15
XLogP3:1.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:155.058243149
Monoisotopic Mass:155.058243149
Topological Polar Surface Area:52.3
Heavy Atom Count:11
Complexity:149
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Ethyl 5-methylisoxazole-3-carboxylate
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