Pyridin-3-ol

3-Hydroxypyridine

HCID 7971CAS 109-00-2
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Grundinformationen

Standard-SMILES
Oc1cccnc1
InChIKey
GRFNBEZIAWKNCO-UHFFFAOYSA-N
Summenformel
C5H5NO
Durchschnittliche Molmasse
95,1 g/mol
Monoisotopische Masse
95,03711378

Überblick

3-pyridinol is a monohydroxypyridine that is pyridine in which the hydrogen at position 3 has been replaced by a hydroxy group. It has been detected as a thermal degradation product from the smoke of the burning leaves of Salvia divinorum, a Mexican psychoactive plant.

Namen und Bezeichner

Bevorzugter Name
3-Hydroxypyridine
IUPAC
pyridin-3-ol
Lokaler Name
Pyridin-3-ol
Englischer Name
3-Hydroxypyridine
Summenformel
C5H5NO
Molmasse
95.1

Namen und Synonyme

3-HYDROXYPYRIDINEpyridin-3-ol109-00-23-Pyridinol3-Pyridolbeta-Hydroxypyridinem-Hydroxypyridine4KBE4P5B6SNSC-18470DTXSID1051563CHEBI:87440RefChem:94397
Weitere Namen anzeigen
3-HP2(1H)-PYRIDONEpyridin-3(4H)-oneNSC 184702-PYRIDONB-PYRIDONE
DTXCID5030115203-637-43-Pyridone3-Oxopyridine3-Pyridyl alcohol3-hydroxy-pyridineMFCD00006378.beta.-Hydroxypyridine

Datenbank-Bezeichner

CAS
109-00-2
PubChem CID
7971
DTXSID
DTXSID1051563
ChEMBL
CHEMBL237847
ChEBI
CHEBI:87440
UNII
4KBE4P5B6S
EC Number
203-637-4
Nikkaji
J1.202.743E、J94.858F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,5
Polarare Oberfläche (TPSA)
33,1 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
7

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Nitrogen Compounds -> Pyridines

Industrial compound

SpringerMaterials PropertiesChemical shift
LogP0.48
Vapor Pressure0.55 [mmHg]
Physical DescriptionLight tan powder; [Alfa Aesar MSDS]
Ionization Efficiency · 6 Einträge

Positive

2.76

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Physikochemische Eigenschaften

Schmelzpunkt
125 · 125-128 °C (lit.)
Siedepunkt
280 · 280-281 °C(lit.)
Dichte
1.1418 · 1.1418 (rough estimate)
Brechungsindex
1.5939 · 1.5939 (estimate)
Flammpunkt
173 °C · 173°C
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 5.2% (3 of 58) of reports.

Warning

H315 (94.8%): 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 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 3-Pyridinol

Status: Active Update: 16-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19717

3-Pyridinol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses anticonvulsant effects in acute intraperitoneal studies of mice; Causes altered sleep time and changes in motor activity in lethal-dose studies; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See 2-Hydroxypyridine.
Hazard Classes and CategoriesSkin Irrit. 2 (94.8%)

Toxikologische Informationen

Adverse EffectsNeurotoxin - Other CNS neurotoxin

Sicherheitsdaten

F
8
wgk
3
tsca
TSCA listed
hs_code
29333999
RTECS-Nr.
UV1144050
risk_code
36/37/38-40

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological ClassificationNaturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.

Verwendung und Herstellung

General Manufacturing Information3-Pyridinol: ACTIVE

Anwendungen

Verwenden3-Hydroxypyridine (cas# 109-00-2) is a compound useful in organic synthesis.

Darstellung · 1 Eintrag

synthetische3-hydroxypyridine was prepared by reacting furfurylamine with H2O2 in the presence of HCl, followed by hydrolysis. The optimal conditions were found as fellows: molar ratio of furfurylamine: HCl : H2O2 = 1 : 5 : 1.1, and H2O2 added dropwisely at 0-5 °C, and then refluxed at 100-105 °C for 0.5 h.

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]
南京一化生物科技有限公司13429882898; 13429882898
Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: 3-Hydroxypyridine is a monohydroxypyridine that is pyridine in which the hydrogen at position 3 has been replaced by a hydroxy group. It has been detected as a thermal degradation product from the smoke of the burning leaves of Salvia divinorum, a Mexican psychoactive plant.

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