5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
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5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
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CAS No:
187949-90-2
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Formula:
C10H8FN3O2
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Chemical Name:
5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
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Synonyms:
SALOR-INT L252034-1EA;RARECHEM AL BO 0714;5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID;BUTTPARK 23\09-45;5-Amino-4-carboxy-1-(4-fluorophenyl)-1H-pyrazole;5-Amino-4-carboxy-1-(4-fluorophenyl)-1H-pyrazole, 1-(5-Amino-4-carboxy-1H-pyrazol-1-yl)-4-fluorobenzene
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CAS No:
5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID Basic Attributes
221.19
221.06000
DTXSID40409917
2933199090
Safety Information
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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID Use and Manufacturing
Ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate (22.18 g, 89 mmol) was suspended in 1 N aqueous solution of LiOH (178 ml_, 178 mmol) and methanol (200 ml_). The reaction mixture was refluxed for 17 hours, allowed to cool to room temperature and filtered. The filtrate was acidified to pH=7 with 2N HCI. A solid was collected by filtration and allowed to dry under reduced pressure to afford the title compound as a pale yellow solid (18.64 g, 95 percent yield), which was used without further purification.
Computed Properties
Molecular Weight:221.19
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:221.06005467
Monoisotopic Mass:221.06005467
Topological Polar Surface Area:81.1
Heavy Atom Count:16
Complexity:269
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
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