4-BROMO-N,N-DIETHYLANILINE

The Benzenamine,4-bromo-N,N-diethyl-, with the CAS registry number 2052-06-4, is also known as N,N-Diethyl-4-bromoaniline. It belongs to the product categories of Amines; C₉ to C₁₀; Nitrogen Compounds. Its EINECS number is 218-140-8. This chemical's molecular formula is C₁₀H₁₄BrN and molecular weight is 228.13. What's more, its IUPAC name is 4-bromo-N,N-diethylaniline. It should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides. Otherwise, it should be ensured that the workshop is well ventilated or equipped with exhaust devices.

Physical properties of Benzenamine,4-bromo-N,N-diethyl- are: (1)ACD/LogP: 4.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.91; (4)ACD/LogD (pH 7.4): 4.39; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Molar Refractivity: 57.52 cm³; (9)Molar Volume: 176.6 cm³; (10)Polarizability: 22.8×10^-24cm³; (11)Surface Tension: 38.2 dyne/cm; (12)Density: 1.291 g/cm³; (13)Flash Point: 125.1 °C; (14)Enthalpy of Vaporization: 50.82 kJ/mol; (15)Boiling Point: 270 °C at 760 mmHg; (16)Vapour Pressure: 0.00702 mmHg at 25°C.

Preparation of Benzenamine,4-bromo-N,N-diethyl-: this chemical can be prepared by 1,4-dibromo-benzene and Diethylamino-tributylstannan at the temperature of 100 °C. This reaction will need reagent PdCl₂<(oTol)₃P>₂ and solvent toluene with the reaction time of 3 hours. The yield is about 30%.

Uses of Benzenamine,4-bromo-N,N-diethyl-: it can be used to produce C₁₀H₁₄BrN·Br₂ at the temperature of 50 °C. It will need reagent Br₂ and solvent CHCl₃ with the reaction time of 20 min. The yield is about 50%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCN(CC)C1=CC=C(C=C1)Br
(2)InChI: InChI=1S/C10H14BrN/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3
(3)InChIKey: NGYMZFJVHHKJQR-UHFFFAOYSA-N