m-nitroacetanilide m-nitroacetanilide

Structural formula

Business number	03ES
Molecular formula	C8H8N2O3
Molecular weight	180.16
label	3-Nitroacetanilide, m-nitroacetanilide, m-nitroacetanilide, 3′-Nitroacetanilide, 3-nitroacetanilide, M-Nitroacetanilide, 3-Nitro-N-acetylaniline, Acetamide, N-(3-nitrophenyl)-, Acetamide,N-(3-nitrophenyl)-, Acetanilide, 3′-nitro-, acetanilide,3’-nitro-, aromatic compounds

• 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:122-28-1

MDL number:MFCD00017015

EINECS number:204-532-6

RTECS number:None

BRN number:2211961

PubChem number:24883326

Physical property data

1. Characteristics: white needle-like crystals.

2. Melting point (℃):154-156℃

3. Boiling point (ºC, 9.84×10-4kPa): 100℃

4. Solubility:Soluble in chloroform; nitrobenzene; ethanol, slightly soluble in hot water, almost insoluble in ether.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index:47.07

2. Molar Volume（m³/mol)：134.3

3. Isotonic specific volume（90.2K）：366.4

4. Surface tension（dyne/cm）：55.3

5. Dielectric constant:

6. Dipole moment（10^-24cm³）)：134.3

3. Isotonic specific volume（90.2K）：366.4

4. Surface tension（dyne/cm）：55.3

5. Dielectric constant:

6. Dipole moment（10^-24cm³） ：

7. Polarizability:18.66

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: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 3

6. Topological molecule polar surface area 74.9

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 212

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

None yet

Storage method

None yet

Synthesis method

1. Introduction to production methods

It is obtained by acetylation of m-nitroaniline with acetic anhydride.

Purpose

2. Purpose

This product is used as a dye intermediate.

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7. Polarizability:18.66

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: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 3

6. Topological molecule polar surface area 74.9

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 212

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

None yet

Storage method

None yet

Synthesis method

1. Introduction to production methods

It is obtained by acetylation of m-nitroaniline with acetic anhydride.

Purpose

2. Purpose

This product is used as a dye intermediate.