The 4-Dimethylaminobenzaldehyde is also known as Benzaldehyde,4-(dimethylamino)-. The IUPAC name is 4-(Dimethylamino)benzaldehyde. It belongs to product categories of Intermediates of Dyes and Pigments; Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; Exciton Chirality CD Method (for Primary Amino Groups); Absolute Configuration Determination (Exciton Chirality CD Method); Analytical Chemistry; Enantiomer Excess & Absolute Configuration Determination. This chemical is a white to off white crystalline powder and soluble in alcohol, ether, acetone, chloroform and acetic acid, slightly soluble in water. What's more, it should be sealed in ventilated and cool place away from fire, heat, oxidants, alkali without air.

Physical properties about 4-Dimethylaminobenzaldehyde are: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.81; (4)ACD/LogD (pH 7.4): 1.81; (5)ACD/BCF (pH 5.5): 13.98; (6)ACD/BCF (pH 7.4): 13.98; (7)ACD/KOC (pH 5.5): 229.91; (8)ACD/KOC (pH 7.4): 229.95; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.595; (12)Molar Refractivity: 47.31 cm³; (13)Molar Volume: 139 cm³; (14)Surface Tension: 42.1 dyne/cm; (15)Density: 1.072 g/cm³; (16)Flash Point: 103.3 °C; (17)Enthalpy of Vaporization: 50.45 kJ/mol; (18)Boiling Point: 266.5 °C at 760 mmHg; (19)Vapour Pressure: 0.00861 mmHg at 25 °C.

Preparation of 4-Dimethylaminobenzaldehyde: 4-Dimethylaminobenzaldehyde is prepared by reaction of 4-bromo-N,N-dimethyl-aniline with carbon monoxide. This reaction needs reagents Cr(CO)₃, PPh₃, Et₃N, H₂, catalyst Pd(PPh₃)₂Cl₂ and solvent toluene at the temperature of 130 °C. The yield is about 35%.

Uses of 4-Dimethylaminobenzaldehyde: 4-Dimethylaminobenzaldehyde is used as a dye intermediate. Besides, it can be used as a reagent for determining urinary choline, indole, alkaloids and also can be used as chromatography reagent. Furthermore, it is used to produce 4-dimethylamino-benzoic acid 4-dimethylamino-benzyl ester. The reaction occurs with reagents Na, biphenyl and solvents benzene, hexane with other condition of heating for 12 hours. The yield is about 86%.

When you are using 4-Dimethylaminobenzaldehyde, please be cautious about it. As a chemical, it is harmful by inhalation, in contact with skin and if swallowed. There is risk of serious damage to eyes. 4-Dimethylaminobenzaldehyde is also harmful to aquatic organisms that may cause long-term adverse effects in the aquatic environment and repeated exposure may cause skin dryness or cracking. As it is flammable, it causes burns and its vapours may cause drowsiness and dizziness. During using it, wear suitable protective clothing, gloves and eye/face protection. Avoid contact with skin and eyes and release to the environment. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately. After using it, keep container tightly closed away from sources of ignition.

You can still convert the following datas into molecular structure:
1) Canonical SMILES: CN(C)C1=CC=C(C=C1)C=O
2) InChI: InChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3
3) InChIKey: BGNGWHSBYQYVRX-UHFFFAOYSA-N

The toxicity data is as follows: