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155713

5-Nitro-2-furoic acid

Name: 5-Nitro-2-furoic acid
Brand: ALDRICH

98%

Synonym(s):

5-Nitrofuran-2-carboxylic acid

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About This Item

Empirical Formula (Hill Notation):

C₅H₃NO₅

CAS Number:

645-12-5

Molecular Weight:

157.08

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24849560

EC Number:

211-432-6

Beilstein/REAXYS Number:

139373

MDL number:

MFCD00003240

Assay:

98%

Form:

powder

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Properties

Quality Level

100

assay

98%

form

powder

mp

185-189 °C (lit.)

functional group

carboxylic acid, nitro

SMILES string

OC(=O)c1ccc(o1)[N+]([O-])=O

InChI

1S/C5H3NO5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)

InChI key

IODMEDPPCXSFLD-UHFFFAOYSA-N

Description

General description

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

Application

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.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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Vibrational spectra, NBO analysis, first order hyperpolarizabilities, thermodynamic functions and NMR chemical shielding anisotropy (CSA) parameters of 5-nitro-2-furoic acid by ab initio HF and DFT calculations.

V Balachandran et al.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 113, 268-280 (2013-06-06)

In this work, FT-IR and FT-Raman spectra are recorded on the solid phase of 5-nitro-2-furoic acid (abbreviated as NFA) in the regions 4000-400 cm(-1) and 3500-100 cm(-1) respectively. The geometrical parameters, vibrational assignments, HOMO-LUMO energies and NBO calculations are obtained

5-Hydroxymethyl-Furfural and Structurally Related Compounds Block the Ion Conductance in Human Aquaporin-1 Channels and Slow Cancer Cell Migration and Invasion.

Pak Hin Chow et al.

Molecular pharmacology, 98(1), 38-48 (2020-05-22)

Aquaporin-1 (AQP1) dual water and ion channels enhance migration and invasion when upregulated in leading edges of certain classes of cancer cells. Work here identifies structurally related furan compounds as novel inhibitors of AQP1 ion channels. 5-Hydroxymethyl-2-furfural (5HMF), a component

Formation of methemoglobin by photoactivation of nitrofurantoin or of 5-nitrofurfural in rats exposed to UV-A light.

R W Busker et al.

Toxicology, 51(2-3), 255-266 (1988-10-01)

The antibacterial drug nitrofurantoin (NFT) is notorious for causing hemolytic anemia, which may be related to the methemoglobinemia, another side-effect of NFT. As NFT is photolabile, and nitrite, well known as a MetHb generator, is an important photoproduct of NFT

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Global Trade Item Number

SKU	GTIN
155713-5G	04061838742148