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4-pyridine carboxaldehyde

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CAS Number: 872-85-5Picture of molecule3D/inchi
Other(deleted CASRN):942039-01-2
ECHA EINECS - REACH Pre-Reg:212-832-3
FDA UNII: Search
Nikkaji Web:J28.013E
Beilstein Number:0105342
XlogP3:0.40 (est)
Molecular Weight:107.11205000
Formula:C6 H5 N O
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:information only not used for fragrances or flavors
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.13700 to 1.14200 @ 20.00 °C.
Pounds per Gallon - (est).: 9.472 to 9.514
Refractive Index:1.54200 to 1.54600 @ 20.00 °C.
Melting Point: -4.00 °C. @ 760.00 mm Hg
Boiling Point: 187.00 °C. @ 760.00 mm Hg
Boiling Point: 192.00 to 193.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.242000 mmHg @ 25.00 °C. (est)
Flash Point: 130.00 °F. TCC ( 54.44 °C. )
logP (o/w): 0.430
Soluble in:
 water, 4.774e+004 mg/L @ 25 °C (est)
Organoleptic Properties:
Flavor Type: fruity
Taste Description: fruity
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
BOC Sciences
For experimental / research use only.
Pyridine-4-carbaldehyde 97%
Matrix Scientific
For experimental / research use only.
Pyridine-4-carbaldehyde, 97%
Noble Molecular Research
For experimental / research use only.
Sigma-Aldrich: Aldrich
For experimental / research use only.
4-Pyridinecarboxaldehyde 97%
For experimental / research use only.
4-Pyridinecarboxaldehyde >96.0%(GC)
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
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-mouse LDLo 1600 mg/kg
Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
Safety in Use Information:
information only not used for fragrances or flavors
Recommendation for 4-pyridine carboxaldehyde usage levels up to:
 not for fragrance use.
Recommendation for 4-pyridine carboxaldehyde flavor usage levels up to:
 not for flavor use.
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):872-85-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :13389
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
RTECS:NR9400000 for cas# 872-85-5
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:872-85-5
Pubchem (cid):13389
Pubchem (sid):134980918
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
UM BBD:Search
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2933.39.9100
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 not found in nature
isonicotinic aldehyde
4-pyridine aldehyde


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PubMed:Preparation and characterization of N-heterocyclic chitosan derivative based gels for biomedical applications.
PubMed:Excitation-energy dependence of the phosphorescence quantum yields of pyridinecarboxaldehyde vapors.
PubMed:Probing lead(II) bonding environments in 4-substituted pyridine adducts of (2,6-Me2C6H3S)2Pb: an X-ray structural and solid-state 207Pb NMR study.
PubMed:Emission spectra and electronic energy levels of the rotational isomers of pyridinecarboxaldehyde vapors.
PubMed:Enhancement of metal-metal coupling at a considerable distance by using 4-pyridinealdazine as a bridging ligand in polynuclear complexes of rhenium and ruthenium.
PubMed:Noncentrosymmetric organic solids with very strong harmonic generation response.
PubMed:Dibromo(pyridoxal semicarbazone-kappa3N1,O3,O3')copper(II).
PubMed:Pillared, 3D metal-organic frameworks with rectangular channels. Synthesis and characterization of coordination polymers based on tricadmium carboxylates.
PubMed:Synthesis and calcium channel-modulating effects of alkyl (or cycloalkyl) 1,4-dihydro-2,6-dimethyl-3-nitro-4-pyridyl-5-pyridinecarboxylate racemates and enantiomers.
PubMed:Large Molecular Quadratic Hyperpolarizabilities in Donor/Acceptor-Substituted trans-Tetraammineruthenium(II) Complexes.
PubMed:Syntheses, calcium channel agonist-antagonist modulation activities, and voltage-clamp studies of isopropyl 1,4-dihydro-2,6-dimethyl-3-nitro-4-pyridinylpyridine-5-carboxylate racemates and enantiomers.
PubMed:Aromatase inhibitors. Syntheses and structure-activity studies of novel pyridyl-substituted indanones, indans, and tetralins.
PubMed:New aromatase inhibitors. Synthesis and biological activity of pyridyl-substituted tetralone derivatives.
PubMed:Relationship between structure and antineoplastic activity of (arylsulfonyl)hydrazones of 4-pyridinecarboxaldehyde.
PubMed:The binding affinity of amphetamine to 4-pyridinecarboxaldehyde and the coenzymes pyridoxal and pyridoxal-5-phosphate.
PubMed:[Reactivation of phosphorylated acetylcholinesterase (AChE): quaternary salts of vinylogous pyridinaldoxims (author's transl)].
PubMed:[Quantitative determination of alkylating cytostatics on TLC plate with 4-pyridinecarboxaldehyde-2-benzothiazolylhydrazone].
PubMed:5-(2-Chloroethyl)-3-hydroxy-2-methyl-4-pyridinecarboxaldehyde ( 5 -pyridoxal methyl chloride) and its reaction with N -acetyl-L-lysine to form a new cyclic imino acid derivative of homopyridoxal.
PubMed:Xanthine oxidase catalyzed oxidation of aldehydes. Oxidation of aliphatic aldehydes and 2- and 4-pyridinecarboxaldehyde.
PubMed:Photoinactivation of aldolases by pyridoxal phosphate and its analogues.
None found
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