2,6-Pyridinedicarboxylic acid - CAS 499-83-2

Catalog:	BB026878
Product Name:	2,6-Pyridinedicarboxylic acid
CAS:	499-83-2
Synonyms:	Dipicolinic Acid
Application:	Permitted for use as an inert ingredient in non-food pesticide products.

Technical Data

IUPAC Name:	pyridine-2,6-dicarboxylic acid
Description:	An amphoteric polar metabolite produced by many bacterial and fungal species.
Molecular Weight:	167.12
Molecular Formula:	C7H5NO4
Canonical SMILES:	C1=CC(=NC(=C1)C(=O)O)C(=O)O
InChI:	InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChI Key:	WJJMNDUMQPNECX-UHFFFAOYSA-N
Boiling Point:	463.7 ℃ at 760 mmHg
Melting Point:	248-250 ℃ (dec.)(lit.)
Flash Point:	188ºC
Purity:	> 95 % by HPLC
Density:	1.551 g/cm³
Solubility:	Soluble in ethanol, methanol, DMF, DMSO
Appearance:	White solid
Storage:	Store at -20 ℃
MDL:	MFCD00006299
LogP:	0.47800
Refractive Index:	1.62
Stability:	Stable under normal temperatures and pressures.
Vapor Pressure:	2.13E-09mmHg at 25°C

GHS Hazard Statement:	H315 (95.13%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (11.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H319 (89.38%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P264: Wash thoroughly after handling. P280: Wear protective gloves/protective clothing/eye protection/face protection. P302+P352: IF ON SKIN: Wash with plenty of soap and water. P332+P313: If skin irritation occurs: Get medical advice/attention. P337+P313: If eye irritation persists: Get medical advice/attention. P362+P364: Take off contaminated clothing. [As modified by IV ATP]. And wash it before reuse. [Added by IV ATP].
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
31678113	20200105	Pyridine-2,3-dicarboxylate, quinolinic acid, induces 1N4R Tau amyloid aggregation in vitro: Another evidence for the detrimental effect of the inescapable endogenous neurotoxin	Chemico-biological interactions
26639393	20160401	Model-guided identification of a therapeutic strategy to reduce hyperammonemia in liver diseases	Journal of hepatology
23070516	20121207	Rational design of a fluorescent receptor for the recognition of anthrax biomarker dipicolinate	The Analyst
23088412	20121101	Multifactorial resistance of Bacillus subtilis spores to high-energy proton radiation: role of spore structural components and the homologous recombination and non-homologous end joining DNA repair pathways	Astrobiology
22776375	20121001	Effects of wet heat treatment on the germination of individual spores of Clostridium perfringens	Journal of applied microbiology

Complexity:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.02185764
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	167.02185764
Rotatable Bond Count:	2
Topological Polar Surface Area:	87.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6