3-BROMO-2-FLUORONITROBENZENE

The 3-Bromo-2-fluoronitrobenzene, with the CAS registry number 58534-94-4, is also known as Hexadecanoic acid, 2-amino-. It belongs to the product categories of Blocks; Bromides; NitroCompounds; Pyridines. This chemical's molecular formula is C₆H₃BrFNO₂ and molecular weight is 220.00. Its IUPAC name is called 1-bromo-2-fluoro-3-nitrobenzene.

Physical properties about this chemical are: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.18; (4)ACD/LogD (pH 7.4): 2.18 ; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 45.82 Å²; (9)Index of Refraction: 1.579; (10)Molar Volume: 121.6 cm³; (11)Surface Tension: 48 dyne/cm; (12)Density: 1.808 g/cm³; (13)Flash Point: 110.5 °C; (14)Melting Point: 29-31 °C; (15)Enthalpy of Vaporization: 47.66 kJ/mol; (16)Boiling Point: 259.1 °C at 760 mmHg; (17)Vapour Pressure: 0.0214 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. Besides, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C(=C1)Br)F)[N+](=O)[O-]
(2)InChI: InChI=1S/C6H3BrFNO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H
(3)InChIKey: MWYFDHRLYOKUMH-UHFFFAOYSA-N