Methyl 4-hydroxy-3-nitrobenzoate Methyl 4-hydroxy-3-nitrobenzoate

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: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