5-Nitrofuraldehyde

Modify Date: 2024-01-06 16:25:35

5-Nitrofuraldehyde Structure
5-Nitrofuraldehyde structure
Common Name 5-Nitrofuraldehyde
CAS Number 698-63-5 Molecular Weight 141.082
Density 1.5±0.1 g/cm3 Boiling Point 252.2±0.0 °C at 760 mmHg
Molecular Formula C5H3NO4 Melting Point 37-39 °C(lit.)
MSDS Chinese USA Flash Point 118.6±23.2 °C
Symbol GHS02
GHS02
Signal Word Danger

 Names

Name 5-Nitrofurfural
Synonym More Synonyms

 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

 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
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

 Customs

HS Code 29321900

 Articles12

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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); ...

 Synonyms

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