IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 50 ,1990,p. 211; Animal Limited Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 50 ,1990,p. 211; Human Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 50 ,1990,p. 211. Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

The IUPAC name of Nitrofurantoin is 1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione. With the CAS registry number 67-20-9, it is also named as 1-((5-Nitrofurfurylidene)amino)hydantoin. The product's categories are Furan & Benzofuran; Peptide Synthesis / Antibiotics. Besides, it is lemon yellow crystalline powder, which should be stored in cool, dark and sealed place at 0-6 °C. It is stable, and incompatible with strong oxidizing agents, strong alkalies, strong acids. In addition, its molecular formula is C₈H₆N₄O₅ and molecular weight is 238.16.

The other characteristics of this product can be summarized as: (1)EINECS: 200-646-5; (2)ACD/LogP: -0.03; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -0.03; (5)ACD/LogD (pH 7.4): -0.21; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 22.81; (9)ACD/KOC (pH 7.4): 15.23; (10)#H bond acceptors: 9; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 3; (13)Polar Surface Area: 111.94 Å²; (14)Index of Refraction: 1.744; (15)Molar Refractivity: 53.13 cm³; (16)Molar Volume: 131 cm³; (17)Polarizability: 21.06×10^-24cm³; (18)Surface Tension: 89.5 dyne/cm; (19)Density: 1.81 g/cm³; (20)Melting point: 268 °C; (21)Water solubility: <0.01 g/100 mL at 19 °C.

Preparation and Uses of Nitrofurantoin: frist, you can produce Aminohydantoin by the reaction of Hydrazine hydrate and Urea. And then you can obtain this chemical by condensation of Aminohydantoin and 5-Nitro-2-furaldehyde diacetate. Furthermore, this chemical is an antibiotic which is usually used in treating urinary tract infection. It is often used against E. coli.

When you are using this chemical, please be cautious about it as the following: it is harmful in contact with skin and if swallowed. It also may cause sensitization by inhalation and skin contact. Please do not breathe dust. And you should wear suitable protective clothing and gloves. Moreover, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES: O=[N+]([O-])c2oc(/C=N/N1C(=O)NC(=O)C1)cc2
(2)InChI: InChI=1/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)/b9-3+
(3)InChIKey: NXFQHRVNIOXGAQ-YCRREMRBBU
(4)Std. 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)/b9-3+
(5)Std. InChIKey: NXFQHRVNIOXGAQ-YCRREMRBSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
chicken	LD50	oral	53mg/kg (53mg/kg)		Journal of Nutrition. Vol. 112, Pg. 1741, 1982.
human	TDLo	oral	80mg/kg (80mg/kg)	PERIPHERAL NERVE AND SENSATION: RECORDING FROM PERIPHERAL MOTOR NERVE BEHAVIORAL: ATAXIA	Archives of Neurology Vol. 18, Pg. 680, 1968.
human	TDLo	unreported	60mg/kg (60mg/kg)	KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION	British Medical Journal. Vol. 2, Pg. 1044, 1976.
mammal (species unspecified)	LDLo	oral	250mg/kg (250mg/kg)		Bollettino Chimico Farmaceutico. Vol. 102, Pg. 505, 1963.
man	TDLo	oral	29mg/kg/20D-I (29mg/kg)	BRAIN AND COVERINGS: INCREASED INTRACRANIAL PRESSURE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: VISUAL FIELD CHANGES: EYE	Drug Intelligence and Clinical Pharmacy. Vol. 22, Pg. 345, 1988.
man	TDLo	oral	40mg/kg/2W-I (40mg/kg)	KIDNEY, URETER, AND BLADDER: INTERSTITIAL NEPHRITIS KIDNEY, URETER, AND BLADDER: PROTEINURIS BLOOD: CHANGES IN LEUCOCYTE (WBC) COUNT	Lancet. Vol. 348, Pg. 1177, 1996.
mouse	LD50	intraperitoneal	100mg/kg (100mg/kg)		National Technical Information Service. Vol. AD277-689,
mouse	LD50	oral	360mg/kg (360mg/kg)		Journal of Medicinal Chemistry. Vol. 16, Pg. 312, 1973.
rat	LD50	intraperitoneal	112mg/kg (112mg/kg)		Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 303, 1970.
rat	LD50	oral	604mg/kg (604mg/kg)		Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 303, 1970.
women	TDLo	oral	24mg/kg (24mg/kg)	BLOOD: OTHER HEMOLYSIS WITH OR WITHOUT ANEMIA	American Journal of Clinical Pathology. Vol. 58, Pg. 408, 1972.
women	TDLo	oral	42mg/kg/6W-I (42mg/kg)	LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE" LIVER: LIVER FUNCTION TESTS IMPAIRED LIVER: "JAUNDICE, OTHER OR UNCLASSIFIED"	Medical Journal of Australia. Vol. 156, Pg. 347, 1992.
women	TDLo	oral	365mg/kg/1Y-I (365mg/kg)	LUNGS, THORAX, OR RESPIRATION: FIBROSIS (INTERSTITIAL) LUNGS, THORAX, OR RESPIRATION: DYSPNEA LIVER: LIVER FUNCTION TESTS IMPAIRED	Postgraduate Medical Journal. Vol. 73, Pg. 519, 1997.