3-nitrosalicylic acid 3-nitrosalicylic 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:85-38-1

mdl number:mfcd00024240

einecs number:none

rtecs number:vo5300000

brn number:2213132

pubchem number:24886613

physical property data

1. physical property data

1. character:light yellow crystal

2. density (g/ml,25/4℃): unsure

3. relative vapor density (g/ml,air=1): unsure

4. melting point (ºc):148（℃, no crystal water); 123（℃, including crystal water)

5. boiling point (ºc,normal pressure): unsure

6. boiling point (ºc,5.2kpa): unsure

7. refractive index: unsure

8. flashpoint (ºc): unsure

9. specific optical rotation (º): unsure

10. autoignition point or ignition temperature (ºceasily soluble in ethanol , ether, benzene and chloroform, slightly soluble in water

toxicological data

1, acute toxicity:

rat caliber ld50: 500mg/kg;

ecological data

none yet

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

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

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 5

4. number of rotatable chemical bonds: 1

5. number of tautomers: 5

6. topological molecule polar surface area 103

7. number of heavy atoms: 13

8. surface charge: 0

9. complexity: 223

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 yet

storage method

none yet

synthesis method

none yet

purpose

none yet

ii-font-family: arial; mso-hansi-font-family: arial; mso-bidi-font-family: arial”>surface tension (dyne/cm): 84.1

5. polarizability（10^-24cm³):16.49

compute chemical data

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

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 5

4. number of rotatable chemical bonds: 1

5. number of tautomers: 5

6. topological molecule polar surface area 103

7. number of heavy atoms: 13

8. surface charge: 0

9. complexity: 223

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 yet

storage method

none yet

synthesis method

none yet

purpose

none yet