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
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.