The 5-Bromo-2-methoxyaniline with CAS registry number of 6358-77-6 belongs to the classes of Amines; Blocks; Bromides. The IUPAC name is 5-Bromo-2-methoxyaniline. In addition, the formula is C7H8BrNO and the molecular weight is 202.05.
Physical properties about this chemical are: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 2.52; (5)ACD/BCF (pH 5.5): 47.68; (6)ACD/BCF (pH 7.4): 48.11; (7)ACD/KOC (pH 5.5): 551.83; (8)ACD/KOC (pH 7.4): 556.84; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)olar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 44.85 cm3; (15)Molar Volume: 131.9 cm3; (16)Polarizability: 17.78 ×10-24cm3; (17)Surface Tension: 44.2 dyne/cm; (18)Density: 1.531 g/cm3; (19)Flash Point: 120 °C; (20)Enthalpy of Vaporization: 51.32 kJ/mol; (21)Boiling Point: 274.8 °C at 760 mm; (22)HgVapour Pressure: 0.00528 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
Harmful by inhalation, in contact with skin and if swallowed. And, It has danger of cumulative effects. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Take precautionary measures against static discharges. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(c(OC)cc1)N
(2)InChI: InChI=1/C7H8BrNO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3
(3)InChIKey: OPGNSNDTPPIYPG-UHFFFAOYAX
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