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The IUPAC name of 3-Bromo-N,N-dimethylaniline is 3-bromo-N,N-dimethylaniline. With the CAS registry number 16518-62-0, it is also named as Benzenamine, 3-bromo-N,N-dimethyl-. The product's categories are Miscellaneous; Aromatics Compounds; Aromatics; Amines; C8; Nitrogen Compounds. Besides, it is light yellow liquid, which should be sealed in a dark, dry and ventilated place at room temperature. In addition, its molecular formula is C8H10BrN and molecular weight is 200.08.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.45; (4)ACD/LogD (pH 7.4): 3.46; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Index of Refraction: 1.586; (9)Molar Refractivity: 48.25 cm3; (10)Molar Volume: 143.6 cm3; (11)Polarizability: 19.13×10-24cm3; (12)Surface Tension: 39.3 dyne/cm; (13)Density: 1.393 g/cm3; (14)Flash Point: 110.8 °C; (15)Melting Point: 11 °C; (16)Enthalpy of Vaporization: 49.73 kJ/mol; (17)Boiling Point: 259.7 °C at 760 mmHg; (18)Vapour Pressure: 0.0128 mmHg at 25 °C.
Preparation of 3-Bromo-N,N-dimethylaniline: this chemical can be prepared by the reaction of sulfuric acid dimethyl ester with 3-bromo-aniline.
This reaction needs KOH and H2O for 140 min. The yield is 48 %.
Uses of 3-Bromo-N,N-dimethylaniline: it can react with formaldehyde to get bis-(2-bromo-4-dimethylamino-phenyl)-methane.
This reaction needs hydrochloric acid and H2O at temperature of 45-50 °C. The yield is 96 %.
When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation, in contact with skin and if swallowed. It is also danger of cumulative effects. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CN(C)C1=CC(=CC=C1)Br
(2)InChI: InChI=1S/C8H10BrN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3
(3)InChIKey: USEXQPWLCGBYNT-UHFFFAOYSA-N