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19485-35-9

Basic Information
CAS No.: 19485-35-9
Name: 1-METHYL-1H-IMIDAZOLE-4,5-DICARBONITRILE
Article Data: 19
Molecular Structure:
Molecular Structure of 19485-35-9 (1-METHYL-1H-IMIDAZOLE-4,5-DICARBONITRILE)
Formula: C6H4N4
Molecular Weight: 132.125
Synonyms: Imidazole-4,5-dicarbonitrile,1-methyl- (8CI);1-Methyl-4,5-dicyanoimidazole;1-Methylimidazole-4,5-dicarbonitrile;4,5-Dicyano-1-methylimidazole;MOA 6;
Density: 1.21 g/cm3
Melting Point: 83-85 °C
Boiling Point: 454.9 °C at 760 mmHg
Flash Point: 228.9 °C
Hazard Symbols: HarmfulXn, IrritantXi
Risk Codes: 25-36/37/38-20/21/22
Safety: 20-26-36/37-45-60
Transport Information: UN 3439
PSA: 65.40000
LogP: 0.16346
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Chemistry

IUPAC Name: 1-Methylimidazole-4,5-dicarbonitrile 
Following is the structure of 1H-Imidazole-4,5-dicarbonitrile,2-amino- (CAS NO.19485-35-9):
                        
Empirical Formula: C6H4N4
Molecular Weight: 132.1228 g/mol
Molar Refractivity: 38.29 cm3
Molar Volume: 108.6 cm3
Density: 1.21 g/cm3
Flash Point: 228.9 °C
Melting point: 83-85 °C
Index of Refraction: 1.622
Surface Tension: 52.1 dyne/cm
Enthalpy of Vaporization: 71.46 kJ/mol
Boiling Point: 454.9 °C at 760 mmHg
Vapour Pressure of 1H-Imidazole-4,5-dicarbonitrile,2-amino- (CAS NO.19485-35-9): 1.83E-08 mmHg at 25 °C
Product Categories of 1H-Imidazole-4,5-dicarbonitrile,2-amino- (CAS NO.19485-35-9): blocks;Carboxes;Imidazoles
Canonical SMILES: CN1C=NC(=C1C#N)C#N
InChI: InChI=1S/C6H4N4/c1-10-4-9-5(2-7)6(10)3-8/h4H,1H3
InChIKey: SUOVGHDPXJUFME-UHFFFAOYSA-N

Safety Profile

Hazard Codes: IrritantXi,HarmfulXn
Risk Statements: 25-36/37/38-20/21/22 
R25 :Toxic if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 20-26-36/37-45-60-9 
S20:When using, do not eat or drink. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37:Wear suitable protective clothing and gloves. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S60:This material and its container must be disposed of as hazardous waste. 
S9:Keep container in a well-ventilated place.
RIDADR: 3439
Hazard Note: Irritant
HazardClass: 6.1
PackingGroup: III

Specification

 1H-Imidazole-4,5-dicarbonitrile,2-amino- , its cas register number is 19485-35-9. It also can be called 1-Methyl-1H-imidazole-4,5-dicarbonitrile ; and 4,5-Dicyano-1-methyl-1H-imidazole .