4-Nitrobenzoylhydrazide

Structural formula

Business number	070B
Molecular formula	C7H7N3O3
Molecular weight	181.15
label	p-nitrobenzoyl hydrazide, p-Nitrobenzhydrazide, O2NC6H4CONHNH2, Aromatic hydrocarbons

• 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: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.