rose acid

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:603-45-2

mdl number:mfcd00001624

einecs number:210-041-8

rtecs number:none

brn number:2055205

pubchem id:none

physical property data

physical property data: 1. appearance: white amorphous powder (methanol) 2. melting point (℃): 273–275

toxicological data

none

ecological data

3. ecological data:

1. other harmful effects: this substance may be harmful to the environment, and special attention should be paid to water bodies.

molecular structure data

5. molecular property data:

1. molar refractive index: 84.45

2. molar volume (cm³/mol): 220.6

3. isotonic specific volume (90.2k): 619.4

4. surface tension (dyne/cm): 62.1

5. polarizability (10^-24cm³): 33.48

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 3.9

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 2

5. number of tautomers: 6

6. topological molecule polar surface area 57.5

7. number of heavy atoms: 22

8. surface charge: 0

9. complexity: 457

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

1. basic properties

maximum absorption wavelength: 534.6, 479.5nm. irritating

storage method

2. storage

sealed and stored

synthesis method

3. introduction to the production method

it is produced by heating a mixture of phenol, oxalic acid and sulfuric acid.

purpose

iv. uses

acid-base indicator, ph6.8 (yellow) ~ 8.0 (red). a qualitative reagent for carbon dioxide in beverage water, it can also be used to distinguish human milk from cow’s milk. dye intermediates.