N-(4-Cyanophenyl)guanidine
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N-(4-Cyanophenyl)guanidine
structure -
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CAS No:
5637-42-3
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Formula:
C8H8N4
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Chemical Name:
N-(4-Cyanophenyl)guanidine
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Synonyms:
Guanidine,N-(4-cyanophenyl)-;Guanidine,(p-cyanophenyl)-;Guanidine,(4-cyanophenyl)-;N-(4-Cyanophenyl)guanidine;4-Cyanophenylguanidine;1-(4-Cyanophenyl)guanidine;2-(4-Cyanophenyl)guanidine
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CAS No:
Characteristics
88.2
0.1
1.3±0.1 g/cm3
220-222 °C @ Solvent: Ethanol
316.6°C at 760 mmHg
145.3±28.4 °C
1.633
Refrigerator, Under Inert Atmosphere
Safety Information
|Warning|H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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.
N-(4-Cyanophenyl)guanidine Use and Manufacturing
A solution of P-aminobenzonitrile (100 gm), ethanol (500 ml), concentrated nitric acid (36 ml) and aqueous cyanamide (50percent, 54 ml) was heated at reflux. 100 g of 4-aminobenzonitrile was dissolved in 500 mL of methanol and cooled the reaction mixture to 10-15° C. 161 mL of con. Nitric acid was added to the reaction mixture followed by 65.6 ml of 50percent aqueous solution cynamide to the reaction mixture and maintained the reaction at 65° C. for 8 hrs. Cooled the reaction mass to 0° C. and charged 500 ml of methyl-t-butyl ether at 0° C. The solids were filtered, washed with water and acetone and dried to give 30 g of the product as a solid.
An intermediate in the preparation of Etravirine
Computed Properties
Molecular Weight:160.18
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:160.074896272
Monoisotopic Mass:160.074896272
Topological Polar Surface Area:88.2
Heavy Atom Count:12
Complexity:213
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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