Nitrofurantoin

Modify Date: 2026-06-30 12:51:47

Nitrofurantoin Structure
Nitrofurantoin structure
 Common Name Nitrofurantoin
CAS Number 67-20-9 Molecular Weight 238.157
Density 1.8±0.1 g/cm3 Boiling Point N/A
Molecular Formula C8H6N4O5 Melting Point 268°C
MSDS Chinese USA Flash Point N/A
Symbol GHS07 GHS08
GHS07, GHS08		 Signal Word Danger

 Use of Nitrofurantoin


Nitrofurantoin is an antibiotic usually used to treat urinary tract infections.

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name nitrofurantoin
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.8±0.1 g/cm3
Melting Point 268°C
Molecular Formula C8H6N4O5
Molecular Weight 238.157
Exact Mass 238.033813
PSA 120.73000
LogP -0.40
Index of Refraction 1.745
InChIKey NXFQHRVNIOXGAQ-UHFFFAOYSA-N
SMILES O=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1
Storage condition 0-6°C
Stability Stability Stable, but light-sensitive. Combustible. Incompatible with strong oxidizing agents, strong alkalies, strong acids. Decomposes upon contact with most metals other than stainless steel and aluminium.
Water Solubility <0.01 g/100 mL at 19 ºC

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MU2800000
CHEMICAL NAME :
Hydantoin, 1-((5-nitrofurfurylidene)amino)-
CAS REGISTRY NUMBER :
67-20-9
LAST UPDATED :
199706
DATA ITEMS CITED :
79
MOLECULAR FORMULA :
C8-H6-N4-O5
MOLECULAR WEIGHT :
238.18
WISWESSER LINE NOTATION :
T5OJ BNW E1UN- AT5NVMV EHJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
40 mg/kg/2W-I
TOXIC EFFECTS :
Kidney, Ureter, Bladder - interstitial nephritis Kidney, Ureter, Bladder - proteinuria Blood - changes in leukocyte (WBC) count
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
80 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - recording from peripheral motor nerve Behavioral - ataxia
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
29 mg/kg/20D-I
TOXIC EFFECTS :
Brain and Coverings - increased intracranial pressure Sense Organs and Special Senses (Eye) - visual field changes Behavioral - somnolence (general depressed activity)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
24 mg/kg
TOXIC EFFECTS :
Blood - other hemolysis with or without anemia
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
42 mg/kg/6W-I
TOXIC EFFECTS :
Liver - hepatitis (hepatocellular necrosis), diffuse Liver - jaundice, other or unclassified Liver - liver function tests impaired
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Human
DOSE/DURATION :
60 mg/kg
TOXIC EFFECTS :
Kidney, Ureter, Bladder - other changes in urine composition
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
604 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
112 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
360 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - chicken
DOSE/DURATION :
53 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3500 mg/kg/14D-I
TOXIC EFFECTS :
Behavioral - food intake (animal) Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
45500 mg/kg/13W-I
TOXIC EFFECTS :
Liver - changes in liver weight Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
63 gm/kg/14D-I
TOXIC EFFECTS :
Behavioral - food intake (animal) Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3276 mg/kg/13W-I
TOXIC EFFECTS :
Liver - changes in liver weight Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10815 mg/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Kidney, Ureter, Bladder - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
21630 mg/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Reproductive - Tumorigenic effects - ovarian tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
135 gm/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Skin and Appendages - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
140 mg/kg
SEX/DURATION :
male 14 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
2100 mg/kg
SEX/DURATION :
male 14 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Paternal Effects - other effects on male
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1740 mg/kg
SEX/DURATION :
male 8 week(s) pre-mating female 2 week(s) pre-mating - 2 week(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1920 mg/kg
SEX/DURATION :
male 8 week(s) pre-mating female 2 week(s) pre-mating - 3 week(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive) Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
105 gm/kg
SEX/DURATION :
female 43 week(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - ovaries, fallopian tubes
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
87500 ug/kg
SEX/DURATION :
male 5 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
75 mg/kg
SEX/DURATION :
female 9-11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - skin and skin appendages
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
750 mg/kg
SEX/DURATION :
female 9-11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
TYPE OF TEST :
Specific locus test
TYPE OF TEST :
DNA damage
TYPE OF TEST :
DNA damage
TYPE OF TEST :
Sperm Morphology
TYPE OF TEST :
DNA damage
TYPE OF TEST :
Sister chromatid exchange

MUTATION DATA

TYPE OF TEST :
Mutation in mammalian somatic cells
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
200 mg/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 225,181,1989 *** REVIEWS *** IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 50,211,1990 IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 50,211,1990 IARC Cancer Review:Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 50,211,1990 TOXICOLOGY REVIEW CCSUDL Carcinogenesis--A Comprehensive Survey. (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) V.1- 1976- Volume(issue)/page/year: 4,171,1978 TOXICOLOGY REVIEW CRTXB2 CRC Critical Reviews in Toxicology. (CRC Press, Inc., 2000 Corporate Blvd., NW, Boca Raton, FL 33431) V.1- 1971- Volume(issue)/page/year: 2,365,1973 TOXICOLOGY REVIEW TRBMAV Texas Reports on Biology and Medicine. (Galveston, TX) V.1-41(2), 1943-81/82. Discontinued. Volume(issue)/page/year: 25,270,1967 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84411 No. of Facilities: 171 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 3756 (estimated) No. of Female Employees: 2239 (estimated)

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol GHS07 GHS08
GHS07, GHS08
Signal Word Danger
Hazard Statements H302-H317-H334
Precautionary Statements P261-P280-P342 + P311
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes Xn:Harmful;
Risk Phrases R22;R42/43
Safety Phrases S22-S36/37-S45
RIDADR 2811
WGK Germany 3
RTECS MU2800000
Packaging Group III
Hazard Class 6.1(b)
HS Code 2933990090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

3-(5-nitrofurfurylideneamino)hydantoic acid structure

3-(5-nitrofurfu...

CAS#:63981-22-6

~%

Nitrofurantoin Structure

Nitrofurantoin

CAS#:67-20-9

Learn More
Literature: Industrial and Engineering Chemistry, , vol. 47, p. 358,359 Yakugaku Zasshi, , vol. 75, p. 117,119, 120 Chem.Abstr., , p. 1782 Acta Poloniae Pharmaceutica, , vol. 16, p. 1,4,5 Chem.Abstr., , p. 11760
5-Nitrofuraldehyde structure

5-Nitrofuraldehyde

CAS#:698-63-5

~%

Nitrofurantoin Structure

Nitrofurantoin

CAS#:67-20-9

Learn More
Literature: Acta Poloniae Pharmaceutica, , vol. 16, p. 1,4,5 Chem.Abstr., , p. 11760
1-aminohydantoin structure

1-aminohydantoin

CAS#:6301-02-6

5-Nitro-2-furaldehyde diacetate structure

5-Nitro-2-fural...

CAS#:92-55-7

~%

Nitrofurantoin Structure

Nitrofurantoin

CAS#:67-20-9

Learn More
Literature: Yakugaku Zasshi, , vol. 75, p. 117,119, 120 Chem.Abstr., , p. 1782

 Precursor & DownStream

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor  4

DownStream  2

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Articles87

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

cIEF for rapid pKa determination of small molecules: a proof of concept.

Eur. J. Pharm. Sci. 63 , 14-21, (2014)

A capillary isoelectric focusing (cIEF) method was developed for the determination of the ionization constants (pKa) of small molecules. Two approaches used to decrease the electroosmotic flow (EOF) w...

Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.

Chem. Res. Toxicol. 23 , 171-83, (2010)

Drug-induced liver injury is one of the main causes of drug attrition. The ability to predict the liver effects of drug candidates from their chemical structures is critical to help guide experimental...

Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).

J. Sci. Ind. Res. 65(10) , 808, (2006)

Drug-induced liver injury (DILI) is a significant concern in drug development due to the poor concordance between preclinical and clinical findings of liver toxicity. We hypothesized that the DILI typ...

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

Furadantine
Nitrofurantoine
EINECS 200-646-5
NITROFURANTOIN
Furadonine
Macrodantin
Nitrofurantoina
1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
1-{[(1E)-(5-Nitrofuran-2-yl)methyliden]amino}imidazolidin-2,4-dion
Furophen T-Caps
Furadoin
Furantoina
Nitrofurantoin (JAN/USP)
1-{[(1E)-(5-nitrofuran-2-yl)méthylidène]amino}imidazolidine-2,4-dione
1-{[(E)-(5-Nitro-2-furyl)methylene]amino}-2,4-imidazolidinedione
Nitrofurantoin [USAN:BAN:INN:JAN]
1-{[(E)-(5-Nitro-2-furyl)methylene]amino}imidazolidine-2,4-dione
Nitrofuradantin
1-{(E)-[(5-Nitro-2-furyl)methylene]amino}-2,4-imidazolidinedione
5-Nitrofurantoin
Nitrofurantoina [DCIT]
Furadoine
1-{[(E)-(5-nitrofuran-2-yl)methylidene]amino}imidazolidine-2,4-dione
MFCD00003224

 Nitrofurantoin | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What are the downstream products of nitrofurantoin?
A: Related downstream products(CAS) of nitrofurantoin: 6301-02-6;63981-22-6.
Q: What is the English name of nitrofurantoin?
A: The English name of nitrofurantoin is nitrofurantoin.
Q: What is the LogP of nitrofurantoin?
A: LogP of nitrofurantoin is -0.40.
Q: What is the SMILES notation of nitrofurantoin?
A: SMILES notation of nitrofurantoin is O=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1.
Q: What is the safety information for nitrofurantoin?
A: Safety information for nitrofurantoin: S22-S36/37-S45.
Q: What is the molecular weight of nitrofurantoin?
A: Molecular weight of nitrofurantoin is 238.157.
Q: What are the upstream materials of nitrofurantoin?
A: Related upstream materials(CAS) of nitrofurantoin: 63981-22-6;698-63-5;6301-02-6;92-55-7.
Q: What is the CAS number of nitrofurantoin?
A: CAS number of nitrofurantoin is 67-20-9.
Q: What is the InChIKey of nitrofurantoin?
A: InChIKey of nitrofurantoin is NXFQHRVNIOXGAQ-UHFFFAOYSA-N.
Q: What is the melting point of nitrofurantoin?
A: Melting point of nitrofurantoin is 268°C.

 Nitrofurantoinfactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
Henan Tianfu Chemical Co., Ltd.
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Chemsrc provides Nitrofurantoin(CAS#:67-20-9) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of Nitrofurantoin are included as well.>> amp version: Nitrofurantoin

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