CAS No.5372-23-6,4-Cyano-1H-imidazole-5-carboxamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5372-23-6
Name:	4-Cyano-1H-imidazole-5-carboxamide

Formula:	C₅H₄N₄O
Molecular Weight:	136.11
Synonyms:	1H-Imidazole-4-carboxamide,5-cyano- (9CI);Imidazole-4(or 5)-carboxamide, 5(or 4)-cyano- (7CI);Imidazole-4-carboxamide, 5-cyano- (8CI);5-Cyanoimidazole-4-carboxamide;NSC 113952;4-Cyanoimidazole-5-carboxamide;4-cyano-1H-imidazole-5-carboxamide;1H-imidazole-4-carboxamide, 5-cyano-;1H-imidazole-5-carboxamide, 4-cyano-;5-Cyano-1H-imidazole-4-carboxamide;
Density:	1.51 g/cm³
Melting Point:	276-278°C
Boiling Point:	572.8 °C at 760 mmHg
Flash Point:	300.2 °C
Hazard Symbols:	Xi
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39
PSA:	95.56000
LogP:	0.08058

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Specification

The 1H-Imidazole-5-carboxamide,4-cyano-, with the CAS registry number 5372-23-6, has the systematic name of 4-cyano-1H-imidazole-5-carboxamide. It belongs to the product category of Amide. And the molecular formula of this chemical is C₅H₄N₄O.

The physical properties of 1H-Imidazole-5-carboxamide,4-cyano- are as following: (1)ACD/LogP: -1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 9.92; (6)ACD/KOC (pH 7.4): 4.11; (7)#H bond acceptors: 5; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 61.92 Å²; (11)Index of Refraction: 1.617; (12)Molar Refractivity: 31.4 cm³; (13)Molar Volume: 89.6 cm³; (14)Polarizability: 12.45×10^-24cm³; (15)Surface Tension: 99.4 dyne/cm; (16)Density: 1.51 g/cm³; (17)Flash Point: 300.2 °C; (18)Enthalpy of Vaporization: 85.86 kJ/mol; (19)Boiling Point: 572.8 °C at 760 mmHg; (20)Vapour Pressure: 3.95E-13 mmHg at 25°C.

Uses of 1H-Imidazole-5-carboxamide,4-cyano-: It can react with bromomethyl-benzene to produce 1-benzyl-5-cyanoimidazole-4-carboxamide. This reaction will need reagent K₂CO₃, and the solvent dimethylformamide. The reaction time is 18 hours with ambient temperature, and the yield is about 85%.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ncnc1C(=O)N
(2)InChI: InChI=1/C5H4N4O/c6-1-3-4(5(7)10)9-2-8-3/h2H,(H2,7,10)(H,8,9)
(3)InChIKey: QBKYWNHLILCGEI-UHFFFAOYAK