Grundinformationen
- CAS
499-80-9- Standard-SMILES
O=C(O)c1ccnc(C(=O)O)c1- InChIKey
MJIVRKPEXXHNJT-UHFFFAOYSA-N- Summenformel
- C7H5NO4
- Durchschnittliche Molmasse
- 167,12 g/mol
- Monoisotopische Masse
- 167,02185764
Überblick
Lutidinic acid is a pyridinedicarboxylic acid carrying carboxy groups at positions 2 and 4. It is a conjugate acid of a lutidinate(1-).
Namen und Bezeichner
- Bevorzugter Name
- 2,4-Pyridinedicarboxylic acid
- IUPAC
- pyridine-2,4-dicarboxylic acid
- Lokaler Name
- Pyridin-2,4-dicarbonsure
- Englischer Name
- 2,4-Pyridinedicarboxylic acid
- Summenformel
- C7H5NO4
- Molmasse
- 167.12
Namen und Synonyme
Pyridine-2,4-dicarboxylic acid499-80-92,4-PYRIDINEDICARBOXYLIC ACIDLutidinic acid2,4-PDCAAFI29F0TVLNSC-403248DTXSID9060104CHEBI:44737RefChem:4439832,4-PDCXDTXCID5040758
Weitere Namen anzeigen
2, 4-PDCAlutidinicaci4-Lutidinic AcidRARECHEM AL BO 0286Topirast impurity 102,4-Dicarboxypyridine
207-892-22,4-Lutidinic acidMFCD000062964nrqEC 207-892-2PD2EINECS 207-892-2NSC 403248
Datenbank-Bezeichner
- CAS
499-80-9- PubChem CID
- 10365
- DTXSID
DTXSID9060104- ChEMBL
CHEMBL316034- ChEBI
CHEBI:44737- UNII
- AFI29F0TVL
- EC Number
- 207-892-2
- Nikkaji
- J6.182D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,2
- Polarare Oberfläche (TPSA)
- 87,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 204
Physikochemische Eigenschaften
- Schmelzpunkt
- 243 · 243-246 °C
- Siedepunkt
- 295.67 °C · 295.67°C (rough estimate)
- Dichte
- 1.5216 · 1.5216 (rough estimate)
- Dampfdruck
- 0.001 Pa · 0.001Pa at 25℃
- Brechungsindex
- 1.628 · 1.6280 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 2.49 g/l · 2.49g/l
- Aggregatzustand
- Crystalline Powder
- pka
- 2.15 · 2.15(at 25℃)
- Farbe
- White to almost white
- Wasserlöslichkeit
- 20 °C · Soluble in water at 20°C 4.5 g/L.
- BRN
- 131631 · 131631
- InChI
- 1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
- InChIKey
- MJIVRKPEXXHNJT-UHFFFAOYSA-N
- SMILES
- OC(=O)c1ccnc(c1)C(O)=O || OC(=O)c1ccnc(c1)C(O)=O
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 10.3% (6 of 58) of reports.
Warning
H315 (89.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 58 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 05-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21533
2,4-Pyridinedicarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (89.7%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29333999
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-26
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information2,4-Pyridinedicarboxylic acid: INACTIVE
Anwendungen
Verwenden2,4-Pyridinedicarboxylic acid is an in vitro and in cell inhibitor, as well as a known inhibitor of the histone lysine demethylases. 2,4-Pyridinedicarboxylic acid has been used in a study to determine that ruthenium(II) complexes exert antimetastatic effects on several tumor cell lines in vitro, achieved mostly by the effect on cell adhesion, migration and angiogenesis. 2,4-Pyridinedicarboxylic acid has been used in a study to develop an assay that represents the first report of a RapidFire mass spectrometery assay for an epigenetics target.
Darstellung
synthetische2,4-Pyridinedicarboxylic acid is usually obtained by oxidation of pyridine. A common synthesis method is to mix pyridine with nitric acid and sulfuric acid and react at high temperature.
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