4-(4-Fluorophenyl)butanoic acid
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4-(4-Fluorophenyl)butanoic acid
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CAS No:
589-06-0
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Formula:
C10H11FO2
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Chemical Name:
4-(4-Fluorophenyl)butanoic acid
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Synonyms:
Benzenebutanoic acid,4-fluoro-;Butyric acid,4-(p-fluorophenyl)-;4-Fluorobenzenebutanoic acid;4-(p-Fluorophenyl)butyric acid;4-(4-Fluorophenyl)butyric acid;4-(4-Fluorophenyl)butanoic acid;NSC 409583
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CAS No:
4-(4-Fluorophenyl)butanoic acid Basic Attributes
182.19
182.19
209-631-8
409583
DTXSID50207628
2916399090
Safety Information
22-41
S24/25
C;Xi
P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, P501
H302
|Danger|H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-(4-Fluorophenyl)butanoic acid Use and Manufacturing
4-(4-Fluorophenyl)butanoic acid: 4-(4-Fluorophenyl)-4-oxobutanoic acid (0.98 g, 5 mmol) and KOH (85percent by wt, 0.79 g, 12 mmol) were placed in a round-bottomed flask fitted with a Dean-Stark apparatus and a reflux condenser and suspended in diethylene glycol (10 mL) at RT. Then, hydrazine monohydrate (50percent by wt., 1.20 g, 12 mmol) was added slowly to the reaction at RT after which it was heated to 120- 130 °C for 2 h. The reaction became homogenous after heating for approximately 45 min. After 2 h, the temperature was increased to 180-200 °C and the reaction stirred for an additional 3 h to remove residual hydrazine and water via the Dean-Stark trap. The reaction was then cooled to RT, diluted with H
Computed Properties
Molecular Weight:182.19
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:182.07430775
Monoisotopic Mass:182.07430775
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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