4-hydroxy-3-nitrobenzoic 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:616-82-0

mdl number:mfcd00007119

einecs number:210-494-1

rtecs number:none

brn number:2213134

pubchem number:24853695

physical property data

physical property data:
1. characteristics: this product is yellow crystal.

2. melting point (℃):228

toxicological data

none yet

ecological data

3. ecological data:

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

molecular structure data

5. molecular property data:

1, molar refractive index:41.61

2, molar volume (m³/mol):112.2

3, isotonic specific volume (90.2k ):339.8

4, surface tension (dyne/ cm):84.1

5、 polarizability (10^-24cm³): 16.49

compute chemical data

4. calculated chemical data:

1. hydrophobic parameter calculation reference value (xlogp ): 2

2. number of hydrogen bond donors:2

3. number of hydrogen bond acceptors:5

4. number of rotatable chemical bonds:1

5. topological molecule polar surface area (tpsa ): 101

6. number of heavy atoms:13

7. surface charge: 0

8. complexity:223

9. isotope atoms quantity: 0

10. determine atoms number of stereocenters:0

11. uncertain number of atomic stereocenters:0

12. determine chemical bonds number of stereocenters:0

13. not sure number of stereocenters of chemical bonds:0

14. covalent number of key units:1

properties and stability

1. basic properties

irritating to eyes, respiratory system, and skin.

storage method

2. storage

should be sealed in0℃save.

synthesis method

none yet

purpose

3. purpose

measurement of chymotrypsin standard. organic synthesis.

resource:allhdi.com