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Molecule
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 Mass
- 198.14 g/mol
Identifiers
CAS Registry Number
59-87-0
SMILES
N=C(O)NN=Cc1ccc([N+](=O)[O-])o1
InChI Key
IAIWVQXQOWNYOU-UHFFFAOYSA-N
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)
Names and Synonyms
- Nitrofurazone Synonym
- Hydrazinecarboxamide, 2-[(5-nitro-2-furanyl)methylene]- Synonym
- 2-Furaldehyde, 5-nitro-, semicarbazone Synonym
- Semioxamazide, 1-(5-nitrofurfurylidene)- Synonym
- 2-[(5-Nitro-2-furanyl)methylene]hydrazinecarboxamide Synonym
- Aldomycin Synonym
- Babrocid Synonym
- Chemofuran Synonym
- Furacycline Synonym
- Furacin Synonym
- Furaskin Synonym
- Furesol Synonym
- Nefco Synonym
- NFS Synonym
- Nifuzon Synonym
- 5-Nitro-2-furaldehyde semicarbazone Synonym
- Nitrofurazone Synonym
- 5-Nitro-2-furfuraldehyde semicarbazone Synonym
- 5-Nitrofurfural semicarbazone Synonym
- 1-(5-Nitro-2-furfurylidene)semicarbazide Synonym
- Vabrocid Synonym
- Veterinary nitrofurazone Synonym
- Furacilin Synonym
- Furaziline Synonym
- Nitrofuraldehyde semicarbazone Synonym
- 5-Nitro-2-furfural semicarbazone Synonym
- 2-Furancarboxaldehyde, 5-nitro-, semicarbazone Synonym
- Furacine Synonym
- (5-Nitro-2-furfurylidenamino)urea Synonym
- Monafuracin Synonym
- Nitrofural Synonym
- Amifur Synonym
- Nfz mix Synonym
- Nitrofuran (bactericide) Synonym
- Mastofuran Synonym
- Alfucin Synonym
- Furaldon Synonym
- Otofural Synonym
- 5-Nitrofurazone Synonym
- Nifucin Synonym
- Nitrofuran Synonym
- Furaplast Synonym
- Furalcyn Synonym
- Furacilinum Synonym
- Furacoccid Synonym
- Coxistat Synonym
- Mammex Synonym
- Furazol W Synonym
- Nitrozone Synonym
- Furacinetten Synonym
- NSC 1602 Synonym
- NSC 2100 Synonym
- NSC 44009 Synonym
- FuraZin Synonym
- Fura-Septin Synonym
- Furaseen Synonym
- Topifuran Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 198.14 g/mol | CAS Common Chemistry |
| 198.13799999999998 g/mol | RDKit | |
| 198.138 g/mol | RDKit | |
| Boiling Point | 236-240 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(N)NN=CC=1OC(=CC1)N(=O)=O | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=IAIWVQXQOWNYOU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 238 °C (decomp) | CAS Common Chemistry |
| Name | Nitrofurazone | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 124.75000000000001 Ų | RDKit |
| 124.75 Ų | RDKit | |
| LogP | 0.6040700000000001 | RDKit |
| 0.6041 | RDKit | |
| Molar Refractivity | 46.4476 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 198.038904672 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 198.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H6N4O4.
