Benzenecarboximidamide, 4-fluoro-, hydrochloride (1:1)
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Benzenecarboximidamide, 4-fluoro-, hydrochloride (1:1)
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CAS No:
456-14-4
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Formula:
C7H7FN2.ClH
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Chemical Name:
Benzenecarboximidamide, 4-fluoro-, hydrochloride (1:1)
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Synonyms:
Benzenecarboximidamide,4-fluoro-,hydrochloride (1:1);Benzamidine,p-fluoro-,hydrochloride;Benzenecarboximidamide,4-fluoro-,monohydrochloride;4-Fluorobenzamidine hydrochloride;p-Fluorobenzamidine monohydrochloride
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CAS No:
Benzenecarboximidamide, 4-fluoro-, hydrochloride (1:1) Basic Attributes
174.6
174.036011
DTXSID10499002
2925290090
Safety Information
25
45
T
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Benzenecarboximidamide, 4-fluoro-, hydrochloride (1:1) Use and Manufacturing
General procedure: The ethyl imidate hydrochloride 4 (10 mmol) was dissolved inethanol (10 mL) and placed in a round-bottomed flask equippedwith a magnetic stir bar. After sealing the flask with a rubberseptum ammonia in methanol (10 mL) was added to the reactionmixture using a syringe. The reaction mixture was stirred at roomtemperature for 24 h. After evaporation in vacuo, the crude productwas purified by flash column chromatography over silica gel(EtOAc/methanol4:1) to afford the amidine hydrochloride 1.4.3.6 EXAMPLE 40 To the solution of The reaction bottle by adding 1 b (4 mmol), two chlorofluorcarbons sodium acetate (4 mmol), cesium carbonate (8 mmol) and acetonitrile (10 ml), then in 120 C heating reaction 24 hours. After the reaction is finished using water quenching, and then the extraction of ethyl acetate, the combined organic phase after drying with anhydrous sodium sulfate, concentrated using petroleum ether and ethyl acetate mixed solvent of column chromatography to obtain the product 3 b, yield is 76%. White solid
Computed Properties
Molecular Weight:174.60
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:174.0360041
Monoisotopic Mass:174.0360041
Topological Polar Surface Area:49.9
Heavy Atom Count:11
Complexity:128
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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