5-CYANO-2-FLUOROBENZOIC ACID
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5-CYANO-2-FLUOROBENZOIC ACID
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CAS No:
146328-87-2
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Formula:
C8 H4 F N O2
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Chemical Name:
5-CYANO-2-FLUOROBENZOIC ACID
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Synonyms:
3-Carboxy-4-fluorobenzonitrile;5-CYANO-2-FLUOROBENZOIC ACID 5-;Benzoic acid,5-cyano-2-fluoro-
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CAS No:
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|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|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|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-CYANO-2-FLUOROBENZOIC ACID Use and Manufacturing
To a solution of Example 102A (3.0 g, 16.8 mmol) in ethanol (50 mL) was added a solution of KOH (40percent aqueous, 15 mL). The mixture was warmed to 45° C. and was allowed to stir for 2 hours until all solids had dissolved. The mixture was cooled to ambient temperature and partially concentrated under reduced pressure. The material was diluted with EtOAc and acidified with 10percent aqueous HCl. Layers were separated and the aqueous phase was extracted EtOAc (3.x.20 mL). The combined organic extracts were dried over NaNaH
Computed Properties
Molecular Weight:165.12
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:165.02260653
Monoisotopic Mass:165.02260653
Topological Polar Surface Area:61.1
Heavy Atom Count:12
Complexity:233
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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