1,3-dinitronaphthalene

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:606-37-1

mdl number:mfcd00003915

einecs number:210-116-5

rtecs number:qj4550800

brn number:none

pubchem number:24847821

physical property data

1. characteristics: yellow needle-shaped crystals.

2. density (g/ml,25℃） : undetermined

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

4. melting point (ºc):144- 145

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

6. boiling point (ºc, kpa):undetermined

7. refractive index (_d²⁰)：undetermined

8. flashpoint (ºc): undetermined

9. specific rotation (ºc): 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): undetermined

18. lower explosion limit (%,v/v): undetermined

19. solubility:soluble in alcohol, insoluble in water. can be sublimated.

toxicological data

ecological data

1. other harmful effects: this substance may be harmful to the environment and should be harmful to water bodies. give special attention.

molecular structure data

1、 molar refractive index:57.18

2, molar volume (m³/mol):147.2

3、 isotonic specific volume (90.2k):422.0

4、 surface tension (dyne/cm):67.5

5, polarizability (10^-24cm³ ):22.67

compute chemical data

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

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 91.6

7. number of heavy atoms: 16

8. surface charge: 0

9. complexity: 296

10. number of isotope atoms: 0

11. number of determined atomic stereocenters: 0

12. number of uncertain atomic stereocenters: 0

13. determine the number of stereocenters of chemical bonds: 0

14. uncertain number of stereocenters of chemical bonds: 0

15. number of covalent bond units: 1

properties and stability

can be sublimated. irritating. flammable.

storage method

should be sealed and stored in a cool place.

synthesis method

obtained from naphthalene through mixed acid nitration, acid separation, dehydration and drying. also available byα-preparation of nitronaphthalene, α-nitronaphthalene is dissolved in sulfuric acid, add nitric acid in 80-90℃nitrification produces dinitronaphthalene.

purpose

used as a sensitizer for ammonium nitrate explosives (the actual product is a mixture of isomers), carbide additives, and intermediates for sulfur dyes and organic synthesis.

resource:allhdi.com