2-Bromocinnamic acid

Product Details

Appearance: white crystal

Uses: This product is an organic synthesis intermediate.

Package specification:25kg/parcel

Storage: Pay attention to the source of fire, especially to avoid sunlight, and store in a cool place.

Keywords: 2-Bromocinnamic acid , flavors, spices, synthetic flavors, intermediate medicine drug.

Description:

O-bromocinnamic acid (C9H7BrO2) is a white crystal with a melting point of 215 °C. Insoluble in water, soluble in ethanol and hot oil. It is a very dangerous pharmaceutical intermediate that is irritating to the eyes, respiratory tract and skin. But O-bromocinnamic acid is a very potent pharmaceutical intermediate, mainly used in the manufacture of pesticides, chemicals, hormones,and fertilizeretc. When you refine or use the medicine synthesized by it, if it comes into contact with your eyes, immediately rinse it with plenty of water and send it to the doctor. Always wear appropriate protective clothing, gloves, and protective goggles or a face shield.

Computational chemistry

1, hydrophobic parameter calculation reference value (XlogP): no available

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 10

4, the number of rotatable chemical bonds: 11

5. Topological Molecular Polar Surface Area (TPSA): 156

6, the number of heavy atoms: 21

7, surface charge: 0

8, complexity: 316

9, the number of isotope atoms: 0

10. Determine the number of atomic stereocenters: 0

11, uncertain atomic stereocenter number: 0

12. Determine the number of chemical bond stereocenters: 0

13, the number of uncertain chemical bond stereocenters: 0

14, the number of covalent key units: 2

Molecular structure data:

1, molar refractive index: 51.93

2, molar volume (m3 / mol): 141.2

3, isotonic capacity (90.2K): 382.5

4, surface tension (dyne / cm): 53.8

5. Polarization rate (10-24cm3): 20.37