Structural formula
Business number | 070B |
---|---|
Molecular formula | C7H7N3O3 |
Molecular weight | 181.15 |
label |
p-nitrobenzoyl hydrazide, p-Nitrobenzhydrazide, O2NC6H4CONHNH2, Aromatic hydrocarbons |
Numbering system
CAS number:636-97-5
MDL number:MFCD00007604
EINECS number:211-271-1
RTECS number:DH5670000
BRN number:519882
PubChem number:24855425
Physical property data
1. Characteristics: yellow powder.
2. Density (g/mL,25/4℃): Undetermined
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC): 216-218
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index��Undetermined
8. Flash point (ºC): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure (kPa,60ºC): 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 partition coefficient (water): Undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Not determined .
Toxicological data
1, acute toxicity: Mouse (intravenous) LD50: 56 mg/kg
Since the LD50 of table salt is 3,000 mg/kg, BPA is The degree of acute toxicity is the same as that of table salt.
Ecological data
If it is slightly harmful to water, do not Allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems. Do not discharge materials into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index: 45.32
2. Molar volume (m3/mol):128.7
3. isotonic specific volume (90.2K):365.1
4. Surface Tension (dyne/cm):64.6
5. Polarizability(10-24cm3):17.96
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: 4
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 2
6. Topological molecule polar surface area 101
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 206
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
Keep away from oxides.
Storage method
Stored in Seal the container and place in a cool, dry place. Store away from oxidizing agents.
Synthesis method
will218gP-nitrobenzyl acetate is soluble in500mlHot methanol, stir, add slowly380g15%Sodium hydroxide solution. Add and place5min , pour into ice water to precipitate. Add activated carbon to the filtered precipitate in hot water for decolorization and recrystallization to obtain 110-121gp-nitrobenzyl alcohol.
Purpose
Organic synthesis intermediates.