2,4-Dibromo-6-methylaniline

The Benzenamine,2,4-dibromo-6-methyl-, with CAS registry number 30273-41-7, has the systematic name of 2,4-dibromo-6-methylaniline. This chemical is a kind of off-white to grey or pale brown crystalline powder. The main use of this chemical is for preparation of bromhexine hydrochloride.And this chemical can be prepared by the bromination of 2-T oluidine.

Physical properties of Benzenamine,2,4-dibromo-6-methyl-: (1)ACD/LogP: 3.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.72; (4)ACD/LogD (pH 7.4): 3.72; (5)ACD/BCF (pH 5.5): 396.23; (6)ACD/BCF (pH 7.4): 396.29; (7)ACD/KOC (pH 5.5): 2518.8; (8)ACD/KOC (pH 7.4): 2519.18; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.02 Å²; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 50.69 cm³; (15)Molar Volume: 140.3 cm³; (16)Polarizability: 20.09×10^-24cm³; (17)Surface Tension: 49.2 dyne/cm; (18)Enthalpy of Vaporization: 52 kJ/mol; (19)Vapour Pressure: 0.00361 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzenamine,2,4-dibromo-6-methyl- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: Brc1cc(Br)cc(c1N)C
(2)InChI: InChI=1/C7H7Br2N/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,10H2,1H3
(3)InChIKey: LOOOTYOQFFOBCI-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C7H7Br2N/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,10H2,1H3
(5)Std. InChIKey: LOOOTYOQFFOBCI-UHFFFAOYSA-N