Methyl 4-hydroxy-3-nitrobenzoate Methyl 4-hydroxy-3-nitrobenzoate
Structural formula
| Business number | 02FS |
|---|---|
| Molecular formula | C8H7NO5 |
| Molecular weight | 197.15 |
| label |
Methyl 3-nitro-4-hydroxybenzoate, 4-Hydroxy-3-nitro-benzoicacimethylester, Benzoic acid, 4-hydroxy-3-nitro-, methyl ester, 4-Hydroxy-3-nitrobenzoic acid methyl ester, Methyl 4-hydroxy-3-nitrobenzoate, Methyl-4-hydroxy-3-nitrobenzoic acid, Methyl 3-nitro-4-hydroxybenzoate, Methyl 3-nitro-4-hydro |
Numbering system
CAS number:99-42-3
MDL number:MFCD00014695
EINECS number:202-755-3
RTECS number:DH2528400
BRN number:2115197
PubChem ID:None
Physical property data
1. Characteristics: Crystalline powder.
2. Density (g/mL,20℃): Undetermined
3. Relative vapor density (g/mL,air =1): Undetermined
4. Melting point (ºC): 74-76
5. Boiling point (ºC,normal pressure): Undetermined
6. Boiling point (ºC, 27mmHg): Not determined
7. Refractive index: Undetermined
8. Flashpoint (ºC): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg,ºC): Undetermined
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined
17. Explosion limit (%,V/V): Not yetSet
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
Acute toxicity: Rat oral administrationLDL0：2500mg/kg；
Rat skin contactLD50：>2mg/kg;
Ecological data
This substance is slightly harmful to water.
Molecular structure data
None yet
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: 5
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 6
6. Topological molecule polar surface area 92.4
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 236
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
Avoid contact with strong oxidants.
Storage method
Stored in a cool, dry and ventilated special explosives warehouse. Keep away from fire and heat sources. should be kept away from oxidizer, do not store together. Use explosion-proof lighting and ventilation facilities. Prohibited use of easy to generate
Sparks machinery and tools. Suitable materials should be available in the storage area to contain spills.
Synthesis method
None yet
Purpose
None yet
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Storage method
Stored in a cool, dry and ventilated special explosives warehouse. Keep away from fire and heat sources. should be kept away from oxidizer, do not store together. Use explosion-proof lighting and ventilation facilities. Prohibited use of easy to generate
Sparks machinery and tools. Suitable materials should be available in the storage area to contain spills.
Synthesis method
None yet
Purpose
None yet