4′-methoxy-2-nitroacetanilide

Structural formula

Business number	03BD
Molecular formula	C9H10N2O4
Molecular weight	210.19
label	N-(4-methoxy-2-niphenyl)acetamide, 4-methoxy-2-nitroacetanilide, Fragrance

• 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:119-81-3

MDL number:MFCD00017018

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Characteristics: Yellow needle crystal

2. Density (g/mL,25℃): Undetermined

3. Relative vapor density (g/mL,air=1): Undetermined

4. Melting point (ºC):116- 117

5. Boiling point (ºC,normal pressure): Undetermined

6. Boiling point (ºC, KPa): Undetermined

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): Undetermined

m³/mol):158.3

3、 Isotonic specific volume (90.2K) ：423.1

4, Surface Tension (dyne/cm):50.9

5、 Polarizability (10^-24cm³):21.30

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: 4

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 3

6. Topological molecule polar surface area 84.2

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 251

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, ventilated warehouse. Keep away from fire and water. should be kept away from oxidizer, do not store together. Equipped with corresponding varieties and quantities of fire protection equipment.

Synthesis method

None

Purpose

None

Number of bonds: 1

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 2

5. Number of tautomers :3

6. Topological molecule polar surface area 84.2

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 251

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Uncertain atoms Number of 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

Avoid contact with strong oxidants.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and water. should be kept away from oxidizer, do not store together. Equipped with corresponding varieties and quantities of fire protection equipment.

Synthesis method

None

Purpose

None