3-nitrosalicylic acid 3-nitrosalicylic acid
structural formula
| business number | 01vn |
|---|---|
| molecular formula | c7h5no5 |
| molecular weight | 183.12 |
| label |
3-nitrosalicylic acid, 3-nitro-2-hydroxybenzoic acid, 2-hydroxy-3-nitrobenzoic acid |
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
