67-20-9
Product Name:
Nitrofurantoin
Formula:
C8H6N4O5
Synonyms:
N-(5-Nitro-2-furfurylidene)-1-aminohydantoin;Furadoxyl;Nitrofurantoine
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Nitrofurantoin appears as odorless lemon yellow crystals or fine yellow powder. Bitter taste. (NTP, 1992) |
|---|---|
| Color/Form | ORANGE-YELLOW NEEDLES FROM DIL ACETIC ACID |
| Odor | ODORLESS |
| Taste | HAS BITTER AFTERTASTE |
| Melting Point | 514 °F (decomposes) (NTP, 1992) |
| Solubility | >35.7 [ug/mL] (The mean of the results at pH 7.4) |
| LogP | -0.47 |
| Stability/Shelf Life | SENSITIVE TO HEAT |
| Decomposition | When heated to decomposition it emits toxic fumes of nitroxides. |
| Dissociation Constants | 7.2 |
| Other Experimental Properties | dec 270-272 °C |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H317:Sensitisation, Skin H334:Sensitisation, respiratory |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
| Molecular Weight | 238.16 g/mol |
|---|---|
| XLogP3 | -0.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 238.03381930 g/mol |
| Monoisotopic Mass | 238.03381930 g/mol |
| Topological Polar Surface Area | 121 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 390 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Nitrofurantoin appears as odorless lemon yellow crystals or fine yellow powder. Bitter taste. (NTP, 1992)