3-Hydroxypicolinic Acid (HCID 13401)

Überblick

3-hydroxypicolinic acid is a monohydroxypyridine that is picolinic acid in which the hydrogen at position 3 is replaced by a hydroxy group. It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry for the analysis of oligonucleotides. It has a role as a MALDI matrix material. It is a monocarboxylic acid and a monohydroxypyridine.

Namen und Bezeichner

Bevorzugter Name: 3-Hydroxypicolinic Acid
IUPAC: 3-hydroxypyridine-2-carboxylic acid
Lokaler Name: 3-Hydroxypyridin-2-carbonsure
Englischer Name: 3-Hydroxypicolinic acid
Summenformel: C6H5NO3
Molmasse: 139.11

Namen und Synonyme

3-HYDROXYPICOLINIC ACID874-24-83-Hydroxypyridine-2-carboxylic acid3-Hydroxy-2-pyridinecarboxylic acidCHEBI:64342XV7XP64JR5DTXSID80236320RefChem:502587DTXCID80158811212-859-02-Pyridinecarboxylic acid, 3-hydroxy-MFCD00006294

Weitere Namen anzeigen

3-HPARARECHEM AL BO 0972TIMTEC-BB SBB0067273-hydroxypicolinicaci2-Carboxy-3-hydroxypyridine3-Hydroxy-2-carboxypyridine3-Hydroxypicolinic acid,98%3-Hydroxypyridine-2-carboxyL3-Hydroxypicolinic acid, 3-HPA

Pyridinecarboxylic acid, hydroxy-3-Hydroxypicolinate116357-04-1UNII-XV7XP64JR53-Hydroxy-2-pyridinecarboxylateCHEMBL12343263-Hydroxypyridinium-2-carboxylate3-hydroxy-2-pyridine carboxylic acid

Datenbank-Bezeichner

CAS: 874-24-8
PubChem CID: 13401
DTXSID: DTXSID80236320
ChEMBL: CHEMBL1234326
ChEBI: CHEBI:64342
UNII: XV7XP64JR5
EC Number: 212-859-0
Nikkaji: J195.156D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 70,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 137

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

LogP-1.27

Physical DescriptionSolid

Physikochemische Eigenschaften

Schmelzpunkt: 213 · 213-218 °C (lit.)
Siedepunkt: 255.04 °C · 255.04°C (rough estimate)
Dichte: 1.4429 · 1.4429 (rough estimate)
Brechungsindex: 1.5423 · 1.5423 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Acetonitrile (Slightly), DMSO (Slightly)
Aggregatzustand: Fine Powder
pka: 1.14 · 1.14±0.50(Predicted)
Farbe: White to almost white
Wasserlöslichkeit: Soluble in water (0.25g in 10ml).
BRN: 118954 · 118954
InChI: InChI=1S/C6H5NO3/c8-4-2-1-3-7-5(4)6(9)10/h1-3,8H,(H,9,10)
InChIKey: BRARRAHGNDUELT-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=NC=CC=C1O
CAS Datenbank: 874 · 874-24-8(CAS DataBase Reference)
NIST chemische Informationen: 3 · 3-Hydroxypicolinic acid(874-24-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): 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 63 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 10
wgk: 3
hs_code: 29333990
risk_code: 36/37/38-20/22
hazard_code: Xi,Xn
safety_code: 26-28-36/37/39-36
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

UsesSynthetic Polymer MALDI Matrix Compounds

Anwendungen

Verwenden3-Hydroxypicolinic acid (3-HPA) is a matrix material used in matrix-assisted laser desorption/ionization (MALDI) based mass spectroscopy (MS) for the analysis of large biomolecules and quantification of oligonucleotides.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

desferriferrithiocin D-Cysteine, 2-methyl- (9CI)3-hydroxypyrido[3,2-d][1,2,3]triazin-4(3H)-one 2-Pyridinecarboxamide,3-amino-N-hydroxy-(9CI)3-Aminopyridine-2-carboxylic acid ethyl ester Pyridin-3-ol-1-oxid 3-Hydroxypyridin-2-carbonitril 3-Hydroxypyridine-2-carboxaldehyde 3-Aminopyridin-2-carbonsure 2-Methylpyridin-3-ol Pyridin-3-ol

Nachgelagerte Produkte

3-Methoxy-2-pyridinecarboxylic acid 3-Hydroxy-pyridine-2-carboxylic acid methyl ester 4-[(3-Hydroxy-2-pyridyl)carbonyl]morpholin 3-(Benzyloxy)-6-broMo-4-Methoxypicolinic acid

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]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: A monohydroxypyridine that is picolinic acid in which the hydrogen at position 3 is replaced by a hydroxy group. It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry for the analysis of oligonucleotides.

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