EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

2-nitrobenzaldehyde
benzaldehyde, 2-nitro-

Supplier Sponsors

CAS Number: 552-89-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:209-025-3
FDA UNII: 48B18Q9B8E
Nikkaji Web:J1.615B
Beilstein Number:0742624
MDL:MFCD00007132
XlogP3:1.70 (est)
Molecular Weight:151.12145000
Formula:C7 H5 N O3
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:pharmaceuticals / chemical synthisis
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 43.50 °C. @ 760.00 mm Hg
Boiling Point: 268.20 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.008000 mmHg @ 25.00 °C. (est)
Flash Point:> 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 1.740
Soluble in:
 water, 2320 mg/L @ 25 °C (exp)
 water, 998.2 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-nitrobenzaldehyde 98%
EMD Millipore
For experimental / research use only.
2-Nitrobenzaldehyde
sds
Glentham Life Sciences
2-Nitrobenzaldehyde
Penta International
2-NITROBENZALDEHYDE
Santa Cruz Biotechnology
For experimental / research use only.
2-Nitrobenzaldehyde ≥95%
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Nitrobenzaldehyde 98%
sds
Sinoway Industrial
For experimental / research use only.
2-Nitrobenzaldehyde
TCI AMERICA
For experimental / research use only.
2-Nitrobenzaldehyde >99.0%(GC)
sds
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-mouse LD50 600 mg/kg
BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Annales des Falsifications et de l'Expertise Chimique. Vol. 76(815), Pg. 65, 1983.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
pharmaceuticals / chemical synthisis
Recommendation for 2-nitrobenzaldehyde usage levels up to:
 not for fragrance use.
 
Recommendation for 2-nitrobenzaldehyde flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA GENetic TOXicology:Search
EPA Substance Registry Services (TSCA):552-89-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11101
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-nitrobenzaldehyde
Chemidplus:0000552896
RTECS:CU7300000 for cas# 552-89-6
 
References:
 2-nitrobenzaldehyde
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:552-89-6
Pubchem (cid):11101
Pubchem (sid):134975751
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2913.00.4000
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 benzaldehyde, 2-nitro-
 benzaldehyde, o-nitro-
2-formylnitrobenzene
2-nitro-benzaldehyde
o-nitrobenzaldehyde
ortho-nitrobenzaldehyde
 

Articles:

PubMed:Determination of nitrofuran and chloramphenicol residues by high resolution mass spectrometry versus tandem quadrupole mass spectrometry.
PubMed:Palladium-catalyzed one pot 2-arylquinazoline formation via hydrogen-transfer strategy.
PubMed:Electrocatalytic reduction of ortho nitrobenzaldehyde using modified aluminum electrode and its determination.
PubMed:Regioselective synthesis of 2H-indazoles using a mild, one-pot condensation-Cadogan reductive cyclization.
PubMed:In vitro and in silico antimalarial activity of 2-(2-hydrazinyl)thiazole derivatives.
PubMed:The synthesis and the biological evaluation of new thiazolidin-4-one derivatives containing a xanthine moiety.
PubMed:Identification and characterization of four bacterial strains isolated from a bioaugmented sequencing batch reactor.
PubMed:[Determination of metabolite residues of nitrofuran antibiotics in aquatic products by liquid chromatography-tandem mass spectrometry].
PubMed:Critical practical aspects in the application of liquid chromatography-mass spectrometric studies for the characterization of impurities and degradation products.
PubMed:Photoswitching of enzyme activity by laser-induced pH-jump.
PubMed:Coupled Ca2+/H+ transport by cytoplasmic buffers regulates local Ca2+ and H+ ion signaling.
PubMed:A photoinduced nanoparticle separation in microchannels via pH-sensitive surface traps.
PubMed:NHC-promoted asymmetric β-lactone formation from arylalkylketenes and electron-deficient benzaldehydes or pyridinecarboxaldehydes.
PubMed:Development and validation of a new method for determining nitrofuran metabolites in bovine urine using liquid chromatography - tandem mass spectrometry.
PubMed:Development of a competitive ELISA for the detection of a furaltadone marker residue, 3-amino-5-morpholinomethyl-2-oxazolidinone (AMOZ), in cultured fish samples.
PubMed:Cloning, expression, purification, and characterization of a novel single-chain variable fragment antibody against the 2-nitrobenzaldehyde derivative of a furaltadone metabolite in Escherichia coli.
PubMed:Synthesis, characterization and biological activity of transition metal complexes with Schiff bases derived from 2-nitrobenzaldehyde with glycine and methionine.
PubMed:Microwave-assisted synthesis and bioevaluation of some semicarbazones.
PubMed:InCl3-driven regioselective synthesis of functionalized/annulated quinolines: scope and limitations.
PubMed:Biotreatment of o-nitrobenzaldehyde manufacturing wastewater and changes in activated sludge flocs in a sequencing batch reactor.
PubMed:Light-induced spatial control of pH-jump reaction at smart gel interface.
PubMed:A non-adiabatic quantum-classical dynamics study of the intramolecular excited state hydrogen transfer in ortho-nitrobenzaldehyde.
PubMed:Ultrafast irreversible phototautomerization of o-nitrobenzaldehyde.
PubMed:High susceptibility of metastatic cells derived from human prostate and colon cancer cells to TRAIL and sensitization of TRAIL-insensitive primary cells to TRAIL by 4,5-dimethoxy-2-nitrobenzaldehyde.
PubMed:Detection of banned nitrofuran metabolites in animal plasma samples using UHPLC-MS/MS.
PubMed:Femtosecond spectroscopy on the photochemistry of ortho-nitrotoluene.
PubMed:Fluorescence and solvent-dependent phosphorescence studies of o-nitrobenzaldehyde: a combined experimental and theoretical investigation.
PubMed:A one-step synthesis of 2,4-unsubstituted quinoline-3-carboxylic acid esters from o-nitrobenzaldehydes.
PubMed:Oriented synthesis and in vitro anticancer activity of biquinazoline-2,2'-diones.
PubMed:Impact of vibrational excitation on the kinetics of a nascent ketene.
PubMed:Spatial regulation of intracellular pH in multicellular strands of neonatal rat cardiomyocytes.
PubMed:Bioaugmentation of a sequencing batch reactor with Pseudomonas putida ONBA-17, and its impact on reactor bacterial communities.
PubMed:"Catalysis in a tea bag": synthesis, catalytic performance and recycling of dendrimer-immobilised bis- and trisoxazoline copper catalysts.
PubMed:LED-array photocalorimetry: instrument design and application to photostability of nifedipine.
PubMed:The ketene intermediate in the photochemistry of ortho-nitrobenzaldehyde.
PubMed:[Determination of nitrofuran metabolites residues in animal tissues by LC-MS/MS method].
PubMed:Coordination compounds based on 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid.
PubMed:Synthesis, infrared spectra and thermal studies of Zn(II), Cd(II) and Hg(II) complexes with 2-aminobenzaldehyde phenylhydrazone "nitrin" ligand.
PubMed:Development and validation of an analytical method for the determination of semicarbazide in fresh egg and in egg powder based on the use of liquid chromatography tandem mass spectrometry.
PubMed:Reductive heterocyclizations via indium-iodine-promoted conversion of 2-nitroaryl imines or 2-nitroarenes to 2,3-diaryl-substituted indazoles.
PubMed:Development of an isothermal heat-conduction photocalorimeter.
PubMed:Determination of nitrofuran residues in milk of dairy cows using liquid chromatography-tandem mass spectrometry.
PubMed:Determination and confirmation of nitrofuran residues in honey using LC-MS/MS.
PubMed:Determination of semicarbazide in fresh egg and whole egg powder by liquid chromatography/tandem mass spectrometry: interlaboratory validation study.
PubMed:A highly effective one-pot synthesis of quinolines from o-nitroarylcarbaldehydes.
PubMed:Isolation and characterization of Pseudomonas sp. strain ONBA-17 degrading o-nitriobenzaldehyde.
PubMed:Advantages of LC-MS-MS compared to LC-MS for the determination of nitrofuran residues in honey.
PubMed:pH-Dependence of extrinsic and intrinsic H(+)-ion mobility in the rat ventricular myocyte, investigated using flash photolysis of a caged-H(+) compound.
PubMed:Simultaneous separation of nitrofuran antibiotics and their metabolites by using micellar electrokinetic capillary chromatography.
PubMed:A new member of the aldo-keto reductase family from the plant pathogen Xylella fastidiosa.
PubMed:Determination of semicarbazide in baby food by liquid chromatography/tandem mass spectrometry: interlaboratory validation study.
PubMed:Semicarbazide in Canadian bakery products.
PubMed:Four nitrobenzaldehyde isonicotinoylhydrazones at 120 K: four different supramolecular structures in two and three dimensions.
PubMed:The photochemistry of o-nitrobenzaldehyde as seen by femtosecond vibrational spectroscopy.
PubMed:Liquid chromatography-tandem mass spectrometry for the determination of protein-bound residues in shrimp dosed with nitrofurans.
PubMed:Three isomeric (E)-nitrobenzaldehyde nitrophenylhydrazones: chains of rings in isomorphous (E)-2-nitrobenzaldehyde 3-nitrophenylhydrazone and (E)-3-nitrobenzaldehyde 2-nitrophenylhydrazone, and centrosymmetric dimers in (E)-4-nitrobenzaldehyde 2-nitrophenylhydrazone.
PubMed:Effects of 4,5-dimethoxy groups on the time-resolved photoconversion of 2-nitrobenzyl alcohols and 2-nitrobenzaldehyde into nitroso derivatives.
PubMed:Analysis of semicarbazide in baby food by liquid chromatography tandem mass spectrometry (LC-MS-MS)--in-house method validation.
PubMed:The determination of semicarbazide (N-aminourea) in commercial bread products by liquid chromatography-mass spectrometry.
PubMed:Determination of nifursol metabolites in poultry muscle and liver tissue. Development and validation of a confirmatory method.
PubMed:Quantitative determination of four nitrofuran metabolites in meat by isotope dilution liquid chromatography-electrospray ionisation-tandem mass spectrometry.
PubMed:Analysis of nifursol residues in turkey and chicken meat using liquid chromatography-tandem mass spectrometry.
PubMed:[Benzo[h][1 ,6]naphthyridines from dimethyl 1,2-dihydro-2-(2-nitrophenyl)-pyridine-3,5-dicarboxylate].
PubMed:Hydrogen-bonded sheets in (E)-2-nitrobenzaldehyde 4-nitrophenylhydrazone and a hydrogen-bonded framework structure in (E)-4-nitrobenzaldehyde 4-nitrophenylhydrazone.
PubMed:Photodegradation of organic pollutants on the spruce needle wax surface under laboratory conditions.
PubMed:Semicarbazide formation in azodicarbonamide-treated flour: a model study.
PubMed:Hydrogen-bonded dimers in 2-nitrobenzaldehyde hydrazone and a three-dimensional hydrogen-bonded framework in 3-nitrobenzaldehyde hydrazone.
PubMed:Analysis of matrix-bound nitrofuran residues in worldwide-originated honeys by isotope dilution high-performance liquid chromatography-tandem mass spectrometry.
PubMed:Solid-phase synthesis of tetrahydro-1,4-benzodiazepine-2-one derivatives as a beta-turn peptidomimetic library.
PubMed:Semicarbazide is a minor thermal decomposition product of azodicarbonamide used in the gaskets of certain food jars.
PubMed:[Benzo[c][2,7]naphthyridines from 2,6-dinor-nifedipine and its dimethyl 2,5-dicarboxylate isomer].
PubMed:A one pot synthesis and evaluation of 13-oxo-quino[3,4-b]carbazol-N-oxides as antimicrobial agents.
PubMed:Solid phase synthesis of 2-aminoquinazoline-based compounds.
PubMed:Preparation of stable isotope-labeled 2-nitrobenzaldehyde derivatives of four metabolites of nitrofuran antibiotics and their comprehensive characterization by UV, MS, and NMR techniques.
PubMed:Deprotonation yields, pKa, and aci-nitro decay rates in some substituted o-nitrobenzaldehydes.
PubMed:Analysis of cigarette mainstream smoke for 1,1-dimethylhydrazine and vinyl acetate by gas chromatography-mass spectrometry.
PubMed:Characterization of recombinant YakC of Schizosaccharomyces pombe showing YakC defines a new family of aldo-keto reductases.
PubMed:Studies on quinones. Part 37. Synthesis and biological activity of o-aminoester functionalised benzo- and naphtho[2,3-b]thiophenequinones.
PubMed:Use of solid phase extraction for the isolation and clean-up of a derivatised furazolidone metabolite from animal tissues.
PubMed:New insights into the acid-promoted reaction of caffeic acid and its esters with nitrite: decarboxylation drives chain nitrosation pathways toward novel oxime derivatives and oxidation/fragmentation products thereof.
PubMed:Determination of the metabolites of nitrofuran antibiotics in animal tissue by high-performance liquid chromatography-tandem mass spectrometry.
PubMed:2-Nitrobenzaldehyde: a convenient UV-A and UV-B chemical actinometer for drug photostability testing.
PubMed:Major differences exist in the function and tissue-specific expression of human aflatoxin B1 aldehyde reductase and the principal human aldo-keto reductase AKR1 family members.
PubMed:Purification, molecular cloning, and catalytic activity of Schizosaccharomyces pombe pyridoxal reductase. A possible additional family in the aldo-keto reductase superfamily.
PubMed:Determination of the furazolidone metabolite, 3-amino-2-oxazolidinone, in porcine tissues using liquid chromatography-thermospray mass spectrometry and the occurrence of residues in pigs produced in Northern Ireland.
PubMed:Analysis of protein-bound metabolites of furazolidone and furaltadone in pig liver by high-performance liquid chromatography and liquid chromatography-mass spectrometry.
PubMed:The free radical site in pea seedling copper amine oxidase probed by resonance Raman spectroscopy and generated by photolysis of caged substrate.
PubMed:Improved gas chromatographic method for determination of daminozide by alkaline hydrolysis and 2-nitrobenzaldehyde derivatization and survey results of daminozide in agricultural products.
PubMed:No-carrier-added regioselective preparation of 6-[18F]fluoro-L-dopa.
PubMed:Proton concentration jumps and generation of transmembrane pH-gradients by photolysis of 4-formyl-6-methoxy-3-nitrophenoxyacetic acid.
PubMed:Comparative metabolism of nitroaromatic compounds in freshwater, brackish water and marine decapod crustaceans.
PubMed:New method for the determination of 1,1-dimethylhydrazine residues in apples and peaches.
PubMed:[Toxic substances sought in sneezing powders].
 
Notes:
None found
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