4-Bromo-2-fluorocinnamic acid

The systematic name of 4-Bromo-2-fluorocinnamic acid is 3-(4-bromo-2-fluorophenyl)prop-2-enoic acid. With the CAS registry number 149947-19-3, it is also named as 2-propenoic acid, 3-(4-bromo-2-fluorophenyl)-. The product's categories are Fluoro-contained Cinnamic Acid Series; Aromatic Cinnamic Acids, Esters and Derivatives; Cinnamic Acid; Bromine Compounds; Fluorine Compounds; Carbonyl Compounds; Carboxylic Acids. It is white to light yellow crystal powder which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of 4-Bromo-2-fluorocinnamic acid can be summarized as: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.624; (8)Molar Refractivity: 51.39 cm³; (9)Molar Volume: 145.4 cm³; (10)Polarizability: 20.37×10^-24 cm³; (11)Surface Tension: 51.5 dyne/cm; (12)Density: 1.685 g/cm³; (13)Flash Point: 157.9 °C; (14)Enthalpy of Vaporization: 61.29 kJ/mol; (15)Boiling Point: 337.5 °C at 760 mmHg; (16)Vapour Pressure: 4.09E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:Brc1cc(F)c(C=CC(=O)O)cc1
2. InChI:InChI=1/C9H6BrFO2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)
3. InChIKey:SVJGKQYKYNDYMU-UHFFFAOYAF