4-Diethylaminobenzaldehyde

1. Introduction of 4-Diethylaminobenzaldehyde
4-Diethylaminobenzaldehyde is an organic compound with the formula C₁₁H₁₅NO. The IUPAC name of this chemical is 4-(diethylamino)benzaldehyde. With the CAS registry number 120-21-8, it is also named as p-(Diethylamino)benzaldehyde. The product's categories are Aromatic Aldehydes & Derivatives (substituted); Electronic; Aldehydes; Carbonyl Compounds. Besides, it should be stored in a cool and dry place.

2. Properties of 4-Diethylaminobenzaldehyde
(1)ACD/LogP: 2.87; (2)ACD/LogD (pH 5.5): 2.87; (3)ACD/LogD (pH 7.4): 2.87; (4)ACD/BCF (pH 5.5): 89.15; (5)ACD/BCF (pH 7.4): 89.79; (6)ACD/KOC (pH 5.5): 864.21; (7)ACD/KOC (pH 7.4): 870.38; (8)#H bond acceptors: 2 ; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 20.31 Å²; (11)Index of Refraction: 1.571; (12)Molar Refractivity: 56.58 cm³; (13)Molar Volume: 172.1 cm³; (14)Polarizability: 22.43×10^-24cm³; (15)Surface Tension: 40.4 dyne/cm; (16)Density: 1.029 g/cm³; (17)Flash Point: 110.2 °C; (18)Enthalpy of Vaporization: 57.21 kJ/mol; (19)Boiling Point: 329.6 °C at 760 mmHg; (20)Vapour Pressure: 0.000176 mmHg at 25°C.

3. Structure Descriptors of 4-Diethylaminobenzaldehyde
(1)SMILES: O=Cc1ccc(N(CC)CC)cc1
(2)InChI: InChI=1/C11H15NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5-9H,3-4H2,1-2H3
(3)InChIKey: MNFZZNNFORDXSV-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C11H15NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5-9H,3-4H2,1-2H3
(5)Std. InChIKey: MNFZZNNFORDXSV-UHFFFAOYSA-N

4. Toxicity of 4-Diethylaminobenzaldehyde
It is harmful in contact with skin and if swallowed and very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and gloves. This material and its container must be disposed of as hazardous waste.

5. Safety Information of 4-Diethylaminobenzaldehyde
Hazard Symbols:Xi;Xn
Risk Codes:
R36/37/38:Irritating to eyes, respiratory system and skin. 
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 
R21/22:Harmful in contact with skin and if swallowed.
Safety Description:
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets. 
S60:This material and its container must be disposed of as hazardous waste. 
S36/37:Wear suitable protective clothing and gloves.

6. Preparation of 4-Diethylaminobenzaldehyde
4-Diethylaminobenzaldehyde can be prepared by N,N-dimethyl-formamide and bis-(4-diethylamino-phenyl)-mercury. This reaction will need reagent POCl₃ and solvent H₂O. The reaction time is 60 min with reaction temperature of 70 °C. The yield is about 85%.

7. Use of 4-Diethylaminobenzaldehyde
4-Diethylaminobenzaldehyde can be used to produce 5-(4-diethylamino-benzylidene)-selenazolidine-2,4-dione. It will need reagent 25 percent Aq. methylamine and solvent acetic acid. The yield is about 74%.