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