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| CAS No.: | 40953-34-2 |
|---|---|
| Name: | 4,5-Dicyano-2-aminoimidazole |
| Article Data: | 4 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H3N5 |
| Molecular Weight: | 133.112 |
| Synonyms: | 2-Amino-1H-imidazole-4,5-dicarbonitrile;2-Amino-4,5-dicyanoimidazole;2-Aminoimidazole-4,5-dicarbonitrile;4,5-Dicyano-2-aminoimidazole; |
| EINECS: | 255-163-2 |
| Density: | 1.54 g/cm3 |
| Melting Point: | 270 °C (dec.)(lit.) |
| Boiling Point: | 587.3 °C at 760 mmHg |
| Flash Point: | 309 °C |
| Solubility: | Practically insoluble in water |
| Appearance: | white or similar to white solid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 102.28000 |
| LogP: | 0.31646 |
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Chemistry
IUPAC Name: 2-Amino-1H-imidazole-4,5-dicarbonitrile
Following is the structure of 1H-Imidazole-4,5-dicarbonitrile,2-amino- (CAS NO.40953-34-2):
Empirical Formula: C5H3N5
Molecular Weight: 133.1108 g/mol
EINECS: 255-163-2
Index of Refraction: 1.647
Molar Refractivity: 31.22 cm3
Molar Volume: 85.9 cm3
Density: 1.54 g/cm3
Flash Point: 309 °C
Surface Tension: 122 dyne/cm
Melting point: 270 °C (dec.)(lit.)
Enthalpy of Vaporization: 87.7 kJ/mol
Boiling Point: 587.3 °C at 760 mmHg
Vapour Pressure of 1H-Imidazole-4,5-dicarbonitrile,2-amino- (CAS NO.40953-34-2): 8.95E-14 mmHg at 25 °C
Product Categories of 1H-Imidazole-4,5-dicarbonitrile,2-amino- (CAS NO.40953-34-2): Dicyanopyrazines, etc. (Building Blocks for Phthalonitriles & Naphthalonitriles); Functional Materials; Phthalonitriles & Naphthalonitriles; Building Blocks; Heterocyclic Building Blocks; Imidazoles
Canonical SMILES: C(#N)C1=C(N=C(N1)N)C#N
InChI: InChI=1S/C5H3N5/c6-1-3-4(2-7)10-5(8)9-3/h(H3,8,9,10)
InChIKey: MLOXIXGLIZLPDP-UHFFFAOYSA-N
Safety Profile
Hazard Codes: 
Xn
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
Specification
1H-Imidazole-4,5-dicarbonitrile,2-amino- , its cas register number is 40953-34-2. It also can be called 2-Amino-4,5-dicyano-1H-imidazole ; 2-Amino-1H-imidazole-4,5-dicarbonitrile ; and 4,5-Dicyano-2-aminoimidazole .