| Identification | More | [Name]
5-(4-NITROPHENYL)-2-FUROIC ACID | [CAS]
28123-73-1 | [Synonyms]
5-(4-NITROPHENYL)-2-FURANCARBOXYLIC ACID
5-(4-NITROPHENYL)-2-FUROIC ACID
5-(4-NITRO-PHENYL)-FURAN-2-CARBOXYLIC ACID
AKOS BB-8339
ART-CHEM-BB B025354
ASISCHEM T31195
RARECHEM AL BE 0741
5-(4-Nitrophenyl)-furane-2-carboxylic acid
NPFA | [Molecular Formula]
C11H7NO5 | [MDL Number]
MFCD00094261 | [Molecular Weight]
233.18 | [MOL File]
28123-73-1.mol |
| Chemical Properties | Back Directory | [Melting point ]
255-257 °C (dec.)(lit.) | [Boiling point ]
451.4±35.0 °C(Predicted) | [density ]
1.440±0.06 g/cm3(Predicted) | [pka]
2.80±0.10(Predicted) | [InChI]
InChI=1S/C11H7NO5/c13-11(14)10-6-5-9(17-10)7-1-3-8(4-2-7)12(15)16/h1-6H,(H,13,14) | [InChIKey]
FXZTYDPWMQBTDH-UHFFFAOYSA-N | [SMILES]
O1C(C2=CC=C([N+]([O-])=O)C=C2)=CC=C1C(O)=O | [CAS DataBase Reference]
28123-73-1(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [HS Code ]
29321900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Uses]
5-(4-Nitrophenyl)-2-furoic acid (5-(p-nitrophenyl)-2-furoic acid) is a 5-aryl-2-furoic acid. It is a dantrolene metabolite and its presence in plasma and urine has been determined by HPLC. It was reported to be the only product formed during the reduction of 5-(4-nitrophenyl)-2-furaldehyde by modified Cannizzaro reaction. | [Synthesis Reference(s)]
[1] Mori, M.;Tresoldi, A.; Villa,
S.;Cazzaniga, G.;Bellinzoni,
M.;Meneghetti, F.5-(4-Nitrophenyl)furan-2-carboxylic Acid. Molbank 2022, 2022, M1515. | [General Description]
5-(4-Nitrophenyl)-2-furoic acid (5-(p-nitrophenyl)-2-furoic acid) is a 5-aryl-2-furoic acid. It is a dantrolene metabolite and its presence in plasma and urine has been determined by HPLC. It was reported to be the only product formed during the reduction of 5-(4-nitrophenyl)-2-furaldehyde by modified Cannizzaro reaction. | [Synthesis]
To a solution of methyl 5-(4-nitrophenyl)furan-2-carboxylate (2, 50 mg, 0.2 mmol) in a mixture of H2O
(2.6 mL) and MeOH (1.3 mL) was added NaOH (24 mg, 0.6 mmol). The
reaction mixture was stirred at reflux for 3 h and partially concentered
in vacuo to remove the solvent; then, 1 M HCl was added to adjust the
pH to 3–4. The aqueous phase was extracted with EtOAc (3 × 5 mL), the
combined organic phases were dried over anhydrous Na2SO4, filtered, and evaporated under reduced pressure to obtain 5-(4-NITROPHENYL)-2-FUROIC ACID as a yellow solid.[1] |
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