Back to Search
Nitrofurazone
CAS: 59-87-0 | C6H6N4O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
59-87-0
Molecular Formula:
C6H6N4O4
Molecular Weight:
198.13799999999998 g/mol
Names and Synonyms:
Nitrofurazone
Hydrazinecarboxamide, 2-[(5-nitro-2-furanyl)methylene]-
2-Furaldehyde, 5-nitro-, semicarbazone
Semioxamazide, 1-(5-nitrofurfurylidene)-
2-[(5-Nitro-2-furanyl)methylene]hydrazinecarboxamide
Aldomycin
Babrocid
Chemofuran
Furacycline
Furacin
Furaskin
Furesol
Nefco
NFS
Nifuzon
5-Nitro-2-furaldehyde semicarbazone
Nitrofurazone
5-Nitro-2-furfuraldehyde semicarbazone
5-Nitrofurfural semicarbazone
1-(5-Nitro-2-furfurylidene)semicarbazide
Vabrocid
Veterinary nitrofurazone
Furacilin
Furaziline
Nitrofuraldehyde semicarbazone
5-Nitro-2-furfural semicarbazone
2-Furancarboxaldehyde, 5-nitro-, semicarbazone
Furacine
(5-Nitro-2-furfurylidenamino)urea
Monafuracin
Nitrofural
Amifur
Nfz mix
Nitrofuran (bactericide)
Mastofuran
Alfucin
Furaldon
Otofural
5-Nitrofurazone
Nifucin
Nitrofuran
Furaplast
Furalcyn
Furacilinum
Furacoccid
Coxistat
Mammex
Furazol W
Nitrozone
Furacinetten
NSC 1602
NSC 2100
NSC 44009
FuraZin
Fura-Septin
Furaseen
Topifuran
Identifiers:
SMILES:
N=C(O)NN=Cc1ccc([N+](=O)[O-])o1
InChI:
InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 198.14 g/mol | Legacy Database |
| cas-boiling-point | 236-240 °C None | Legacy Database |
| cas-canonical-smile | O=C(N)NN=CC=1OC(=CC1)N(=O)=O None | Legacy Database |
| cas-inchi | InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11) None | Legacy Database |
| cas-inchi-key | InChIKey=IAIWVQXQOWNYOU-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 238 °C (decomp) None | Legacy Database |
| cas-name | Nitrofurazone None | Legacy Database |
| LogP | 0.6040700000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 198.13799999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 198.038904672 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 14 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 124.75000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 46.4476 | RDKit |
