The Molecular Structure of 4-[(2-Cyanoethyl)methylamino]benzaldehyde (CAS NO.94-21-3):
Empirical Formula: C11H12N2O
Molecular Weight: 188.2258
IUPAC Name: 3-(4-formyl-N-methylanilino)propanenitrile
Appearance: Pale yellow to orange cast or powder
Product Categories: Intermediates of Dyes and Pigments;Aldehydes;C10 to C21;Carbonyl Compounds
Nominal Mass: 188 Da
Average Mass: 188.2258 Da
Monoisotopic Mass: 188.094963 Da
Index of Refraction: 1.598
Molar Refractivity: 56.49 cm3
Molar Volume: 165.4 cm3
Surface Tension: 50.9 dyne/cm
Density: 1.137 g/cm3
Flash Point: 187.9 °C
Enthalpy of Vaporization: 63.61 kJ/mol
Boiling Point: 387.1 °C at 760 mmHg
Vapour Pressure: 3.38E-06 mmHg at 25°C
InChI
InChI=1/C11H12N2O/c1-13(8-2-7-12)11-5-3-10(9-14)4-6-11/h3-6,9H,2,8H2,1H3
Smiles
O=Cc1ccc(N(CCC#N)C)cc1
4-[(2-Cyanoethyl)methylamino]benzaldehyde (CAS NO.94-21-3) can be used for synthesis of cationic dyes.
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
4-[(2-Cyanoethyl)methylamino]benzaldehyde (CAS NO.94-21-3) is also called as 3-((4-Formylphenyl)methylamino)propiononitrile ; Propanenitrile, 3-((4-formylphenyl)methylamino)- .
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