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1H-Imidazole-4-carbonitrile,5-amino- (5098-11-3)

Identification
Name:1H-Imidazole-4-carbonitrile,5-amino-
Synonyms:Imidazole-4(or5)-carbonitrile, 5(or 4)-amino- (7CI); Imidazole-4-carbonitrile, 5-amino-(8CI); 4-Amino-1H-imidazole-5-carbonitrile; 4-Amino-5-cyanoimidazole;4-Aminoimidazole-5-carbonitrile; 5-Amino-1H-imidazole-4-carbonitrile;5-Amino-4-cyanoimidazole; 5-Amino-4-imidazolecarbonitrile;5-Cyano-4-aminoimidazole; NSC 139091
CAS:5098-11-3
EINECS: 225-816-6
Molecular Formula: C4H4 N4
Molecular Weight: 108.1014
InChI: InChI=1/C4H4N4/c5-1-3-4(6)8-2-7-3/h2H,6H2,(H,7,8)
Molecular Structure: (C4H4N4) Imidazole-4(or5)-carbonitrile, 5(or 4)-amino- (7CI); Imidazole-4-carbonitrile, 5-amino-(8CI); 4-Amin...
Properties
Transport:3439
Melting Point: 131 ºC
Flash Point: 291.1 ºC
Boiling Point: 557.7 ºC at 760 mmHg
Density:1.42 g/cm3
Refractive index:1.621
Appearance:Off-White to Pale Yellow Solid
Specification:

The 5-Amino-1H-imidazol-4-carbonitrile, its cas register number is . It also can be called as 1H-Imidazole-4-carbonitrile,5-amino- and the IUPAC name about this chemicals is 4-amino-1H-imidazole-5-carbonitrile. It belongs to the following product categories, such as Variousamine, Heterocyclic Compounds, Heterocycles and so on. It is a off-white to pale yellow solid.

Following are the chemical properties about 5-Amino-1H-imidazol-4-carbonitrile: (1)#H bond acceptors: 4 ; (2)#H bond donors: 3 ; (3)#Freely Rotating Bonds: 1 ; (4)Polar Surface Area: 44.85Å2 ; (5)Index of Refraction: 1.621 ; (6)Molar Refractivity: 26.66 cm3 ; (7)Molar Volume: 75.7 cm3 ; (8)Polarizability: 10.56x10-24cm3 ; (9)Surface Tension: 97.1 dyne/cm ; (10)Enthalpy of Vaporization: 83.96 kJ/mol ; (11)Vapour Pressure: 1.79E-12 mmHg at 25°C

The 5-Amino-1H-imidazol-4-carbonitrile is a dangerous chemical, because it is toxic by inhalation, in contact with skin and if swallowed. In the using process, please be more careful, you need to wear suitable protective clothing, gloves and eye/face protection and not breathe dust. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

This chemical can be described computed from structure:
(1)Canonical SMILES: C1=NC(=C(N1)C#N)N
(2)InChI: InChI=1S/C4H4N4/c5-1-3-4(6)8-2-7-3/h2H,6H2,(H,7,8) 
(3)InChIKey: XEPBRDBFOSKYCF-UHFFFAOYSA-N

Flash Point: 291.1 ºC
Storage Temperature: Refrigerator
Safety Data