Benzenamine,5-bromo-2-methyl- (39478-78-9)

The IUPAC name of 5-Bromo-2-methylaniline is 5-bromo-2-methylaniline. With the CAS registry number 39478-78-9, it is also named as 5-Bromo-o-toluidine. The product's categories are Fluorin-contained toluene series; Amines; blocks; Bromides; Aromatic Hydrocarbons (substituted) & Derivatives; API intermediates; Miscellaneous; Anilines, Amides & Amines; Bromine Compounds; Benzenes. Besides, it is clear yellow to brown liquid after melting, which should be stored in closed, cool and dry place. In addition, its molecular formula is C₇H₈BrN and molecular weight is 186.05.

The other characteristics of 5-Bromo-2-methylaniline can be summarized as: (1)EINECS: 254-467-2; (2)ACD/LogP: 2.56; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.56; (5)ACD/LogD (pH 7.4): 2.56; (6)ACD/BCF (pH 5.5): 51.57; (7)ACD/BCF (pH 7.4): 51.95; (8)ACD/KOC (pH 5.5): 584.02; (9)ACD/KOC (pH 7.4): 588.36; (10)H bond acceptors: 1; (11)H bond donors: 2; (12)Freely Rotating Bonds: 1; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 43 cm³; (15)Molar Volume: 124.1 cm³; (16)Surface Tension: 44.7 dyne/cm; (17)Density: 1.498 g/cm³; (18)Flash Point: 111.2 °C; (19)Melting Point: 33 °C; (20)Enthalpy of Vaporization: 49.8 kJ/mol; (21)Boiling Point: 260.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0123 mmHg at 25 °C.

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 irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection when use it. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:Brc1cc(N)c(cc1)C
(2)InChI:InChI=1/C7H8BrN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3
(3)InChIKey:RXQNKKRGJJRMKD-UHFFFAOYAB
(4)Std. InChI:InChI=1S/C7H8BrN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3
(5)Std. InChIKey:RXQNKKRGJJRMKD-UHFFFAOYSA-N