CAS 698-63-5|5-Nitrofuraldehyde

Introduction：Basic information about CAS 698-63-5|5-Nitrofuraldehyde, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
4. Safety Information
5. Customs
6. Articles12
7. Synonyms

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	ChineseUSA	Flash Point	118.6±23.2 °C
Symbol	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
InChIKey	SXINBFXPADXIEY-UHFFFAOYSA-N
SMILES	O=Cc1ccc([N+](=O)[O-])o1
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
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

Customs

HS Code	29321900

Articles12

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); ...

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

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