2-BROMO-N,N-DIMETHYLANILINE

The CAS register number of 2-Bromo-N,N-dimethylaniline is 698-00-0. It also can be called as Benzenamine,2-bromo-N,N-dimethyl- and the IUPAC name about this chemical is 2-bromo-N,N-dimethylaniline. The molecular formula about this chemical is C₈H₁₀BrN and the molecular weight is 200.08. It belongs to the following product categories which include Amines; C8; Nitrogen Compounds and so on.

Physical properties about 2-Bromo-N,N-dimethylaniline are: (1)ACD/LogP: 3.46; (2)ACD/LogD (pH 5.5): 3.43; (3)ACD/LogD (pH 7.4): 3.46; (4)ACD/BCF (pH 5.5): 232.29; (5)ACD/BCF (pH 7.4): 250.33; (6)ACD/KOC (pH 5.5): 1682.1; (7)ACD/KOC (pH 7.4): 1812.74; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 3.24Ų; (11)Index of Refraction: 1.586; (12)Molar Refractivity: 48.25 cm³; (13)Molar Volume: 143.6 cm³; (14)Polarizability: 19.13x10^-24cm³; (15)Surface Tension: 39.3 dyne/cm; (16)Flash Point: 90.4 °C; (17)Enthalpy of Vaporization: 46.24 kJ/mol; (18)Boiling Point: 225.9 °C at 760 mmHg; (19)Vapour Pressure: 0.0843 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-(2-dimethylaminophenyl)propanol. This reaction will need reagent (Bu₃Sn)₂O, Br₂. The yield is about 98%.

Uses of 2-Bromo-N,N-dimethylaniline: it can be used to produce o-dimethylaminophenyl methyl selenide with methaneselenenyl bromide at heating. This reaction will need reagent magnesium and solvent diethyl ether, hexane. The yield is about 40%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause sensitization by inhalation and skin contact, it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccccc1N(C)C
(2)InChI: InChI=1/C8H10BrN/c1-10(2)8-6-4-3-5-7(8)9/h3-6H,1-2H3
(3)InChIKey: ONMSBNJJCUCYED-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C8H10BrN/c1-10(2)8-6-4-3-5-7(8)9/h3-6H,1-2H3
(5)Std. InChIKey: ONMSBNJJCUCYED-UHFFFAOYSA-N