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.
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