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645-12-5

645-12-5 Structure

645-12-5 Structure
IdentificationMore
[Name]

5-Nitro-2-furoic acid
[CAS]

645-12-5
[Synonyms]

2-CARBOXY-5-NITROFURAN
5-NITRO-2-FURANCARBOXYLIC ACID
5-NITRO-2-FUROIC ACID
RARECHEM AL BO 1619
2-Furancarboxylic acid, 5-nitro-
2-furancarboxylicacid,5-nitro
2-Furoic acid, 5-nitro-
5-nitro-2-furoicaci
5-Nitrofurancarboxylic acid
5-nitrofurancarboxylicacid
5-Nitrofuroic acid
5-nitrofuroicacid
5-nitropyromucate
5-Nitropyromucic acid
Nitrofurate
5-Nitrofuran-2-carboxylic acid
5-Nitro-2-furoic acid, 98+%
5-Nitro-2-furylcarboxylic acid
[EINECS(EC#)]

211-432-6
[Molecular Formula]

C5H3NO5
[MDL Number]

MFCD00003240
[Molecular Weight]

157.08
[MOL File]

645-12-5.mol
Chemical PropertiesBack Directory
[Appearance]

yellow crystalline powder
[Melting point ]

185-189 °C (lit.)
[Boiling point ]

281.7°C (rough estimate)
[density ]

1.8109 (rough estimate)
[refractive index ]

1.4798 (estimate)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

2.06±0.10(Predicted)
[color ]

White to Light Yellow
[Water Solubility ]

Slightly soluble in water.
[BRN ]

139373
[CAS DataBase Reference]

645-12-5(CAS DataBase Reference)
[NIST Chemistry Reference]

5-Nitrofuran-2-carboxylic acid(645-12-5)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R68:Possible risk of irreversible effects.
R36/37/38:Irritating to eyes, respiratory system and skin .
R40:Limited evidence of a carcinogenic effect.
[Safety Statements ]

S37/39:Wear suitable gloves and eye/face protection .
S36/37:Wear suitable protective clothing and gloves .
S36:Wear suitable protective clothing .
S22:Do not breathe dust .
[WGK Germany ]

3
[RTECS ]

LV2012000
[HS Code ]

2932.19.5100
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Ethyl acetate-->Diethyl ether-->Sulfuric acid-->PETROLEUM ETHER-->Nitric acid-->Sodium sulfate-->Acetic anhydride-->Sodium bicarbonate-->Pyridine-->p-Toluenesulfonic acid-->Furfural-->SODIUM DICHROMATE-->2,5-dinitrofuran-->5-NITRO-2-METHYLFURAN-->METHYL 5-NITRO-2-FUROATE-->5-Sulfo-2-furancarboxylic acid-->2,5-Dihydro-2-hydroxy-5-nitro-2-furanMethanediol Triacetate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

5-Nitro-2-furoic acid(645-12-5).msds
Hazard InformationBack Directory
[Chemical Properties]

yellow crystalline powder
[Uses]

5-Nitro-2-furoic acid was used in the preparation of [1,2,4]triazolo[3,4-b][1,3,4]thiadiazines and [1,2,4]triazolo[3,4-b][1,3,4] thiadiazoles.
[Uses]

5-Nitro-2-furoic acid is a representative of 2-substituted 5-nitrofurans. A number of nitrofurans have been used as antibacterial, antiprotozoal, and anthelmintic drugs in humans and animals. 2-Substituted 5-nitrofurans have been used worldwide as human and veterinary medicines, food preservatives, and feed additives, and they are utilized in human medicine as antibacterial agents. Therefore, the relationship between the antibacterial effect and the mutagenicity of these compounds and their oxidized metabolites is important. Comparison of the antibacterial effects and genotoxic potencies of nitrofuran drugs and their oxidative metabolites may provide a new direction for selecting nitrofuran drugs for human use.
[Uses]

5-Nitro-2-furoic acid was used in the preparation of [1,2,4]triazolo[3,4-b][1,3,4]thiadiazines and [1,2,4]triazolo[3,4-b][1,3,4] thiadiazoles. The FT-IR and FT-Raman spectra of 5-Nitro-2-furoic acid has also been studied.
[General Description]

The FT-IR and FT-Raman spectra of 5-Nitro-2-furoic acid has been studied.
[Environmental Fate]

5-Nitro-2-furoic acid is a yellow crystalline powder with molecular weight of 157.08 g mol-1 and density of 1.72 g cm-3. The boiling point is 332.4 ℃ and the melting point is 185.00– 189.00 ℃ at 760 mm Hg. Vapor pressure is 5.83E-05 mm Hg at 25 ℃ and enthalpy of vaporization is 60.71 kJ mol-1. 5-Nitro-2-furoic acid is very soluble in water. It is stable under normal temperature and pressure.
[Toxicity evaluation]

The toxicological properties of this compound have not been fully investigated. However, as a minimum precaution, it should be considered harmful. Precautions should be taken and procedures adopted to prevent exposure.
Spectrum DetailBack Directory
[Spectrum Detail]

5-Nitro-2-furoic acid(645-12-5)MS
5-Nitro-2-furoic acid(645-12-5)IR1
5-Nitro-2-furoic acid(645-12-5)IR2
5-Nitro-2-furoic acid(645-12-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Nitro-2-furoic acid, 98%(645-12-5)
[Alfa Aesar]

5-Nitro-2-furoic acid, 98+%(645-12-5)
[Sigma Aldrich]

645-12-5(sigmaaldrich)
[TCI AMERICA]

5-Nitro-2-furancarboxylic Acid,>97.0%(T)(645-12-5)
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