5-Nitrofuraldehyde

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Names

[ CAS No. ]:
698-63-5

[ Name ]:
5-Nitrofuraldehyde

[Synonym ]:
MFCD00003230
5-Nitrofuraldehyde
2-Furancarboxaldehyde, 5-nitro-
5-Nitrofuran-2-carbaldehyd
EINECS 211-816-3
5-Nitro-furanaldehyde
5-Nitro-2-furaldehyde
5-nitrofuran-2-carbaldehyde

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
252.2±0.0 °C at 760 mmHg

[ Melting Point ]:
37-39 °C(lit.)

[ Molecular Formula ]:
C5H3NO4

[ Molecular Weight ]:
141.082

[ Flash Point ]:
118.6±23.2 °C

[ Exact Mass ]:
141.006210

[ PSA ]:
76.03000

[ LogP ]:
0.51

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.580

[ Storage condition ]:
Flammables area

[ Water Solubility ]:
sparingly soluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LT7200000
CHEMICAL NAME :
2-Furaldehyde, 5-nitro-
CAS REGISTRY NUMBER :
698-63-5
BEILSTEIN REFERENCE NO. :
0120539
LAST UPDATED :
199612
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C5-H3-N-O4
MOLECULAR WEIGHT :
141.09
WISWESSER LINE NOTATION :
T5OJ BVH ENW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Protozoa - Euglena gracilis
DOSE/DURATION :
5 mg/L
REFERENCE :
AFRNDS Acta Facultatis Rerum Naturalium Universitatis Comenianae, Formatio et Protectio Naturae. (Slovenske Pedagogicke Nakladatel'stvo, Sasinkova 5, 89112 Bratislava, Czechoslovakia) No.1- 1976- Volume(issue)/page/year: 5,131,1979

Safety Information

[ Symbol ]:

GHS02

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H228

[ Precautionary Statements ]:
P210

[ Personal Protective Equipment ]:
Eyeshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ Hazard Codes ]:
F:Flammable;Xn:Harmful;

[ Risk Phrases ]:
R11;R68

[ Safety Phrases ]:
S16-S36/37

[ RIDADR ]:
UN 1325 4.1/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
LT7200000

[ Packaging Group ]:
III

[ Hazard Class ]:
3.2

[ HS Code ]:
29321900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 5-Nitro-2-furaldehyde diacetate
  • 2-Furanmethanol,5-nitro-
  • 5-nitrofurfuryl azide
  • Furan-2-ylmethyl acetate
  • 5-Nitrofurfuryl acetate
  • 2,5-Dihydro-2-hydroxy-5-nitro-2-furanmethanediol Triacetate
  • 2-(iodomethyl)-5-nitrofuran
  • Furfuryl alcohol
  • (5-nitrofuran-2-yl)methyl nitrate

DownStream

  • Pyrimidine,2-[2-(5-nitro-2-furanyl)ethenyl]-
  • (E)-N-indazol-1-yl-1-(5-nitrofuran-2-yl)methanimine
  • 5-nitro-2-furaldehyde oxime
  • 5-(PHENYLSULFANYL)-2-FURALDEHYDE
  • Nitrofurazone
  • 5-(4-fluorophenoxy)furan-2-carbaldehyde
  • Acetamide,N-[5-[2-(5-nitro-2-furanyl)ethenyl]-1,3,4-thiadiazol-2-yl]-
  • 5-Nitro-2-furaldehyde diacetate
  • 3-[2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-oxadiazol-5-amine
  • Ethanol,2-[[(5-nitro-2-furanyl)methylene]oxidoamino]-

Customs

[ HS Code ]: 29321900

Articles

A selective biomarker for confirming nitrofurazone residues in crab and shrimp using ultra-performance liquid chromatography-tandem mass spectrometry.

Anal. Bioanal. Chem 407 , 8971-7, (2015)

Reliably detecting nitrofurazone (NFZ) residues in farmed crab and shrimp was previously hindered by lack of appropriately specific analytical methodology. Parent NFZ rapidly breaks down in meat, and ...

Conformational stability, vibrational spectra, molecular structure, NBO and HOMO-LUMO analysis of 5-nitro-2-furaldehyde oxime based on DFT calculations.

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 104 , 14-25, (2013)

The FTIR and FT-Raman spectra of 5-nitro-2-furaldehyde oxime (NFAO) have been recorded in the regions 4000-400 cm(-1) and 3500-50 cm(-1), respectively. The total energies of different conformations ha...

Design, synthesis, and biological evaluation of 4-(5-nitrofuran-2-yl)prop-2-en-1-one derivatives as potent antitubercular agents.

Bioorg. Med. Chem. Lett. 20 , 6175-8, (2010)

Based on stereoelectronic feature analysis using density functional theory (DFT) at B3LYP/3-21∗G level, a series of 4-(5-nitrofuran-2-yl)prop-2-en-1-one derivatives with low LUMO energies (<-0.10eV); ...


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  • 5-methoxy-3-(di-n-propylamino)chroman
  • 5-BROMO-2,3-DIHYDRO-1H-INDOLE HYDROCHLORIDE
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