3-(2-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid
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3-(2-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid
structure -
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CAS No:
23598-72-3
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Formula:
C11H8ClNO3
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Chemical Name:
3-(2-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid
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Synonyms:
4-Isoxazolecarboxylic acid,3-(2-chlorophenyl)-5-methyl-;4-Isoxazolecarboxylic acid,3-(o-chlorophenyl)-5-methyl-;3-(2-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid;NSC 81238
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CAS No:
3-(2-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid Basic Attributes
237.64
237.64
791928
245-770-0
81238
DTXSID4066913
2934999090
Characteristics
63.3
3.00160
Cream solid
1.385 g/cm3
193-196 °C
374.5ºC at 760 mmHg
180.3ºC
1.59
2.83E-06mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
36/37/38-22-37/38-36
26-36-36/37/39-22
Xi,Xn
Irritant
P301 + P312 + P330
H302
|Warning|H302 (91.11%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 45 companies from 3 notifications to the ECHA C&L Inventory.
3-(2-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid Use and Manufacturing
O-chlorobenzaldehyde is oximated with hydroxylamine hydrochloride under alkaline conditions to produce o-chlorobenzoxime, which is then chlorinated with chlorine to obtain o-chlorobenzoxime chloride, which is cyclized with ethyl acetoacetate under the action of alkali to obtain 3- O-chlorophenyl-5-methyl-4-isoxazole carboxylic acid ethyl ester, finally hydrolyzed with lye and acidified to prepare the product.
Intermediate of cloxacillin sodium.
4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-: INACTIVE
Computed Properties
Molecular Weight:237.64
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:237.0192708
Monoisotopic Mass:237.0192708
Topological Polar Surface Area:63.3
Heavy Atom Count:16
Complexity:274
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-(2-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid
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