- InChI
- InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)
- InChI Key
- NXFQHRVNIOXGAQ-UHFFFAOYSA-N
- Formula
- C8H6N4O5
- SMILES
-
O=C1CN(N=Cc2ccc([N+](=O)[O-])o
2)C(=O)N1 - Molecular Weight1
- 238.16
- CAS
- 67-20-9
- Other Names
-
- 1-(5-Nitro-2-furfurylidenamino)hydantoin
- 1-(5-Nitro-2-furfurylideneamino)hydantoin
- 1-[(5-Nitrofurfurylidene)amino]hydantoin
- 2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-
- 5-Nitrofurantoin
- 5-Nitrofurantoindorn
- Benkfuran
- Berkfurin
- Chemiofuran
- Cyantin
- Cystit
- Dantafur
- Fua Med
- Fur-ren
- Furachel
- Furadantin
- Furadantine
- Furadantine MC
- Furadantoin
- Furadoine
- Furadonin
- Furadonine
- Furadontin
- Furalan
- Furaloid
- Furantoin
- Furatoin
- Furina
- Furobactina
- Hydantoin, 1-[(5-nitrofurfurylidene)amino]-
- Hydantoin, n-(5-nitro-2-furfurylidene)-1-amino-
- Ituran
- Macpac
- Macrobid
- Macrodantin
- N-(5-Nitro-2-furfurylidene)-1-aminohydantoin
- N-(5-Nitro-2-furfurylideno)-1-aminohydantoina
- N-(5-Nitrofurfurylidene)-1-aminohydantoin
- N-Toin
- NCI-C55196
- NSC-2107
- Nierofu
- Nifurantin
- Nitoin
- Nitrex
- Nitrofuradantin
- Novofuran
- Orafuran
- Parfuran
- Trantoin
- USAF EA-2
- Urantoin
- Urizept
- Uro-Tablinen
- Urodin
- Urofurin
- Urolong
- Welfurin
- Zoofurin
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7930 | Relay (1.0) Calculated Property | |
| ΔfG° | 62.57 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -140.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 95.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.38 | Estimated Solubility | |
| logPoct/wat | 0.073 | Crippen Calculated Property | |
| McVol | 145.330 | ml/mol | McGowan Calculated Property |
| Pc | 4214.62 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 601.78 | K | Relay (1.0) Calculated Property |
| Tc | 948.14 | K | Relay (1.0) Calculated Property |
| Tfus | 467.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.548 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Nitrofurantoin.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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