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| CAS No.: | 1122-28-7 |
|---|---|
| Name: | 4,5-Dicyanoimidazole |
| Article Data: | 21 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C5H2N4 |
| Molecular Weight: | 118.098 |
| Synonyms: | Imidazole-4,5-dicarbonitrile(6CI,7CI,8CI);MOA 7;NSC 113954;1H-Imidazole-4,5-dicarbonitrile; |
| EINECS: | 214-344-6 |
| Density: | 1.43 g/cm3 |
| Melting Point: | 174- 178 °C |
| Boiling Point: | 569.3 °C at 760 mmHg |
| Flash Point: | 170.2 °C |
| Appearance: | white to off-white crystalline powder |
| Hazard Symbols: |
 Xi, Xn, F
|
| Risk Codes: | 37/38-41-36/37/38-20/22-36-20/21/22-11 |
| Safety: | 26-39-36/37/39-36/37 |
| Transport Information: | UN 1648 3/PG 2 |
| PSA: | 76.26000 |
| LogP: | 0.15306 |
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Chemistry
IUPAC Name: 4,5-Dicyanoimidazole
Following is the structure of 4,5-Dicyanoimidazole (CAS NO.1122-28-7):
Empirical Formula: C5H2N4
Molecular Weight: 118.0962 g/mol
Molar Refractivity: 27.61 cm3
Molar Volume: 82.4 cm3
Density: 1.43 g/cm3
Flash Point: 170.2 °C
Melting point: 168-175 °C
Index of Refraction: 1.584
Surface Tension: 95.2 dyne/cm
Enthalpy of Vaporization: 85.41 kJ/mol
Boiling Point: 569.3 °C at 760 mmHg
Vapour Pressure: 5.65E-13 mmHg at 25 °C
Product Categories of 4,5-Dicyanoimidazole (CAS NO.1122-28-7): blocks; Carboxes; Imidazoles; Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines; Imidazol&Benzimidazole; Coupling Reagent; Imidaxoles; Dicyanopyrazines, etc. (Building Blocks for Phthalonitriles & Naphthalonitriles); Functional Materials; Phthalonitriles & Naphthalonitriles; Naphthyridine,Quinoline
Appearance of 4,5-Dicyanoimidazole (CAS NO.1122-28-7): white crystalline powder
Canonical SMILES: C1=NC(=C(N1)C#N)C#N
InChI: InChI=1S/C5H2N4/c6-1-4-5(2-7)9-3-8-4/h3H,(H,8,9)
InChIKey: XGDRLCRGKUCBQL-UHFFFAOYSA-N
Toxicity Data With Reference
4,5-Dicyanoimidazole (CAS NO.1122-28-7) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated.
Safety Profile
Hazard Codes: 
Xi,
Xn,
F
Risk Statements: 37/38-41-36/37/38-20/22-36-20/21/22-11
R37/38:Irritating to respiratory system and skin.
R41:Risk of serious damage to the eyes.
R36/37/38:Irritating to eyes, respiratory system and skin.
R20/22:Harmful by inhalation and if swallowed.
R36:Irritating to eyes.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R11:Highly flammable.
Safety Statements: 26-39-36/37/39-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S39:Wear eye / face protection.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S36/37:Wear suitable protective clothing and gloves.
RIDADR: UN 1648 3/PG 2
WGK Germany: 3
Hazard Note: Irritant
PackingGroup: III
Specification
4,5-Dicyanoimidazole , its cas register number is 1122-28-7. It also can be called 4,5-Dicyanoimidazole ; DCI ; and 4,5-Dicyanoimidazole .
4,5-Dicyanoimidazole (CAS NO.1122-28-7) is hazardous, so the first aid measures and others should be known. Such as: When on the skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. While, it's inhaled: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Then you have the ingesting of the product : Wash mouth out with water, and get medical aid immediately.
4,5-Dicyanoimidazole (CAS NO.1122-28-7) is stable. It should avoid the condition like incompatible materials. It is not compatible with other materials Incompatible materials. And also prevent it to broken down into hazardous decomposition products: nitrogen oxides, carbon monoxide, carbon dioxide. However, its hazardous polymerization will not occur. In addition, it should be stored in a cool, dry place, or stored in a tightly closed container.