Pyridoxalhydrochlorid
PYRIDOXAL HCL · 3-HYDROXY-5-(HYDROXYLMETHYL)2-METHYL-4-PYRIDINE CARBOXYL ALDEHYDE HYDROCHLORIDE · PL HCL · TIMTEC-BB SBB000425 · Pyridoxal hydrochlor · GLUTA fixative (2.5%) · Pyridoxine Impurity 22 · PYRIDOXAL HYDROCHLORIDE
Identifikatoren & physikalische Daten
| CAS No. | 65-22-5 |
|---|---|
| Summenformel | C8H9NO3.ClH |
| Durchschnittliche Molmasse | 203,62 g/mol |
| Monoisotopische Masse | 203,03492086 g/mol |
| SMILES | Cc1ncc(CO)c(C=O)c1O.Cl |
| InChIKey | FCHXJFJNDJXENQ-UHFFFAOYSA-N |
| PubChem CID | 6171 |
| ChEMBL | CHEMBL543846 |
| ChEBI | CHEBI:131529 |
| EC No. | 200-602-5 |
| DTXSID | DTXSID0058774 |
| Lokaler Name | Pyridoxalhydrochlorid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 70,4 |
|---|---|
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 162 |
| Stoffklassen | Biological Agents -> Vitamins and Derivatives |
| Dampfdruck | 0.00000046 [mmHg] |
| Physical Description | Solid[Merck Index] |
| Collision Cross Section | 132.51 Ų [M-H]- [CCS Type: DTMethod: stepped-field] |
| Schmelzpunkt | 173 °C (dec.)(lit.) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly), Water (Slightly)Soluble in water and ethanol. |
| Aggregatzustand | Powder |
| Farbe | White |
| Biologische Quelle | synthetic (Organic) |
| Merck | 14,7978 |
| BRN | 3656994 |
| InChI | InChI=1S/C8H9NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3 |
| InChIKey | FCHXJFJNDJXENQ-UHFFFAOYSA-N |
| SMILES | C1(C=O)=C(O)C(=NC=C1CO)C.Cl |
| CAS Datenbank | 65-22-5(CAS DataBase Reference) |
| EPA chemische Informationen | Pyridoxal hydrochloride (65-22-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 11.1% (1 of 9) of reports.WarningH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 4-Pyridinecarboxaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl-, hydrochloride4-Pyridinecarboxaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl-, hydrochloride: Non hazardous |
| Gefahrenübersicht | Causes convulsions and excitement in oral lethal-dose studies of rats[RTECS] May cause irritation[Sigma-Aldrich MSDS] See Pyridoxal. |
| Hazard Classes and Categories | Acute Tox. 4 (66.7%) |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29362500 |
| RTECS-Nr. | UV1225000 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25-22-36-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
Pyridoxal hydrochloride is a hydrochloride salt formed by combining pyridoxal with hydrochloric acid. It is also a derivative of pyridinium salt and vitamin B6. It has important roles in E. coli metabolites, Saccharomyces cerevisiae metabolites, cofactors, human metabolites and mouse metabolites. It can be used as a calibrator for liquid chromatography of food samples, a component of culture media for lactic acid bacteria (LAB) and foodborne pathogens (FBP) (component of arginine decarboxylase and lysine decarboxylase).
Verwenden
Pyridoxal hydrochloride is used in labeling of amino acids for their detection. It finds application in neurotransmitters, sphingolipids and aminolevulinic acid. It is also used as a nutritional agent. It is also applied in research studies like biochemical, drugs and in media supplements.