Pyridin-2,6-dicarbonsure

2,6-Pyridinedicarboxylic acid

HCID 10367CAS 499-83-2
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Grundinformationen

Standard-SMILES
O=C(O)c1cccc(C(=O)O)n1
InChIKey
WJJMNDUMQPNECX-UHFFFAOYSA-N
Summenformel
C7H5NO4
Durchschnittliche Molmasse
167,12 g/mol
Monoisotopische Masse
167,02185764

Namen und Bezeichner

Bevorzugter Name
2,6-Pyridinedicarboxylic acid
IUPAC
pyridine-2,6-dicarboxylic acid
Lokaler Name
Pyridin-2,6-dicarbonsure
Englischer Name
Pyridine-2,6-dicarboxylic acid
Summenformel
C7H5NO4
Molmasse
167.12

Namen und Synonyme

2,6-Pyridinedicarboxylic acid499-83-2Dipicolinic acidPYRIDINE-2,6-DICARBOXYLIC ACID2,6-Dipicolinic acid2,6-DicarboxypyridineDTXSID7022043UE81S5CQ0GNSC-176DTXCID602043CHEBI:46837RefChem:134748
Weitere Namen anzeigen
dipicolinic2,6-PYRIDINECARBOXYLIC ACIDPyridine-2,6-dicarboxylate26DPAL-042134
207-894-3DipicolinateMFCD00006299DPACpydcH2EINECS 207-894-3Oprea1_533632SCHEMBL34595

Datenbank-Bezeichner

CAS
499-83-2
PubChem CID
10367
DTXSID
DTXSID7022043
ChEMBL
CHEMBL284104
ChEBI
CHEBI:46837
UNII
UE81S5CQ0G
EC Number
207-894-3
Nikkaji
J6.184K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,6
Polarare Oberfläche (TPSA)
87,5 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
2
Schwere Atome
12

Experimentelle und physikochemische Eigenschaften

Solubility5 mg/mL at 25 °C
Melting Point252 °C
Vapor Pressure0.0000061 [mmHg]
Physical Description · 2 Einträge

White crystalline powder; [Alfa Aesar MSDS]

Solid

Physikochemische Eigenschaften

Schmelzpunkt
248 · 248-250 °C (dec.)(lit.)
Siedepunkt
295.67 °C · 295.67°C (rough estimate)
Dichte
1.5216 · 1.5216 (rough estimate)
Dampfdruck
0.01 hPa · <0.01 hPa (20 °C)
Brechungsindex
1.628 · 1.6280 (estimate)
Flammpunkt
188 °C · 188 °C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (42.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (57.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (48.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (52.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (99.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 273 reports by companies from 21 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 2,6-Pyridinedicarboxylic acid

Status: Active Update: 02-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24614

Dipicolinic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Pyridine and Picolinic acid.
Hazard Classes and CategoriesSkin Corr. 1B (42.9%)；Skin Irrit. 2 (57.1%)；Eye Dam. 1 (48.4%)；Eye Irrit. 2A (52.4%)；STOT SE 3 (99.6%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

Regulatorische Informationen

Regulatory Information · 3 Einträge

Chemical: 2,6-Pyridinedicarboxylic acid

Status: Active Update: 02-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24614

Dipicolinic acid: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29333999
risk_code
36/37/38-37/38-36
Toxizität
LD50 orally in Rabbit: 10500 mg/kg
hazard_code
Xi

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

Chemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS.

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Cellular LocationsCytoplasm；Extracellular

Verwendung und Herstellung

UsesPermitted for use as an inert ingredient in non-food pesticide products; [EPA]
Use ClassificationCosmetics -> Chelating
General Manufacturing Information2,6-Pyridinedicarboxylic acid: ACTIVE
Anwendungen · 1 Eintrag

Beschreibung2,6-Pyridinedicarboxylic acid (PDCA) contains two carboxylic groups on each side of the pyridine ring. Both groups form rigid 120° angles with the pyridine. Carboxylic functionality could be complex and bind with metals under certain conditions. Numerous metalorganic frameworks, metal complexes, drugs, and CPs based on PDCA were developed for applications related to gas storage, separation, catalysis, magnetism, and sensing[1]. Shao et al. researched the solubility of PDCA in methanol, ethanol, n-propanol, isopropanol, THF, 1,4-dioxane, acetic acid, formic acid, acetonitrile, ethyl acetate, and toluene. They found that PDCA solubility was the highest in methanol but the lowest in acetonitrile.

Darstellung

synthetischepyridine-2,6-dicarboxylic acid was synthesized by hydrolyzing of ester prepared by coupling of diethyl 4-hydroxypyridine-2,6-dicarboxylate to bis-halohydrocarbon or bis-halide.Synthesis of Novel Derivatives of Pyridine‐2,6‐dicarboxylic Acid

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: Pyridine-2,6-dicarboxylic acid is a pyridinedicarboxylic acid carrying two carboxy groups at positions 2 and 6. It has a role as a bacterial metabolite. It is a conjugate acid of a dipicolinate(1-).

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