structural formula

business number	02c8
molecular formula	c7h5no4
molecular weight	167.12
label	2-hydroxy-5-nitrobenzoyl, 2-hydroxy5-nitrobenzaldehyae

• 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:97-51-8

mdl number:mfcd00007337

einecs number:202-587-0

rtecs number:cu6675000

brn number:512565

pubchem number:24856642

physical property data

1. appearance: light yellow or white powder.
2. density (g/ml, 20℃): undetermined
3. relative vapor density (g/ml, air=1): undetermined
4. melting point ( ºc): 125-128
5. boiling point (ºc, normal pressure): undetermined
6. boiling point (ºc, kpa): undetermined
7. refractive index: undetermined determined
8. flash point (ºc): not determined
9. specific optical rotation (º): not determined
10. autoignition point or ignition temperature (ºc): not determined determined
11. vapor pressure (mmhg, 20.2ºc): undetermined
12. saturation vapor pressure (kpa, ºc): undetermined
13. heat of combustion (kj/mol ): undetermined
14. critical temperature (ºc): undetermined
15. critical pressure (kpa): undetermined
16. oil-water (octanol/water) partition coefficient log value: undetermined
17. upper explosion limit (%, v/v): undetermined
18. lower explosion limit (%, v/v): undetermined
19. solubility: not determined

toxicological data

acute toxicity: rat oral ld50: 799mg/kg; mouse oral ld50: 672mg/kg;

ecological data

none

molecular structure data

1. molar refractive index: 41.43

2. molar volume (cm³/mol): 111.3

3. isotonic specific volume (90.2k ): 322.8

4. surface tension (dyne/cm): 70.5

5. polarizability (10-24cm3): 16.42

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 1

5. number of tautomers: 4

6. topological molecule polar surface area 83.1

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 188

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

none

storage method

none

synthesis method

none

purpose

intermediates for organic synthesis of medicines, spices and dyes.

extended-reading:https://www.cyclohexylamine.net/nt-cat-fg1021-pinhole-elimination-agent/
extended-reading:https://www.bdmaee.net/dioctyltin-dilaurate/
extended-reading:https://www.newtopchem.com/archives/640
extended-reading:https://www.bdmaee.net/di-n-butyltin-oxide/
extended-reading:https://www.bdmaee.net/niax-b-4-tertiary-amine-catalyst-/
extended-reading:https://www.bdmaee.net/dabco-rp208-high-efficiency-reaction-type-equilibrium-catalyst-reaction-type-equilibrium-catalyst/
extended-reading:https://www.bdmaee.net/dabco-mb20-catalyst-cas-68007-43-3–germany/
extended-reading:https://www.bdmaee.net/wp-content/uploads/2022/08/12.jpg
extended-reading:https://www.newtopchem.com/archives/1902
extended-reading:https://www.bdmaee.net/u-cat-2030-catalyst-sanyo-japan/