Pyridin-2,6-diyldimethanol

2,6-Pyridinedimethanol

HCID 70957CAS 1195-59-1

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Grundinformationen

Standard-SMILES: OCc1cccc(CO)n1
InChIKey: WWFMINHWJYHXHF-UHFFFAOYSA-N
Summenformel: C7H9NO2
Durchschnittliche Molmasse: 139,15 g/mol
Monoisotopische Masse: 139,06332853

Namen und Bezeichner

Bevorzugter Name: 2,6-Pyridinedimethanol
IUPAC: [6-(hydroxymethyl)-2-pyridinyl]methanol
Lokaler Name: Pyridin-2,6-diyldimethanol
Englischer Name: 2,6-Pyridinedimethanol
Summenformel: C7H9NO2
Molmasse: 139.15

Namen und Synonyme

2,6-Pyridinedimethanol1195-59-1Pyridine-2,6-diyldimethanolDTXSID20152474RefChem:870724DTXCID1074965214-803-0[6-(hydroxymethyl)pyridin-2-yl]methanol2,6-Bis(hydroxymethyl)pyridine2,6-DIHYDROXYMETHYLPYRIDINEMFCD0000635126-Pyridinedimethanol

Weitere Namen anzeigen

(6-Hydroxymethyl-pyridin-2-yl)-methanol2,6-PYRIDINETHANOL2,6-PYRIDINEMETHANOL BIS2,6-Pyridinedimethanol ,98%2,6-PyridinediMethanol, 98% 5GR2,6-PyridinediMethanol SynonyMs 2,6-PyridyldicarbinolRARECHEM AL BD 0203

Pyridine-2,6-dimethanol[6-(hydroxymethyl)-2-pyridyl]methanol2,6-Bis-(hydroxymethyl)pyridine[6-(hydroxymethyl)-2-pyridyl]methan-1-ol(2,6-PYRIDINYL)DIMETHANOLpyridine 2,6-dimethanol(Pyridine-2,6-diyl)dimethanol2,6-bis-(hydroxymethyl)-pyridine

Datenbank-Bezeichner

CAS: 1195-59-1
PubChem CID: 70957
DTXSID: DTXSID20152474
EC Number: 214-803-0
Nikkaji: J41.162K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,8
Polarare Oberfläche (TPSA): 53,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 87

Physikochemische Eigenschaften

Schmelzpunkt: 112 · 112-114 °C (lit.)
Siedepunkt: 185 °C · 185°C 15mm
Dichte: 1.1997 · 1.1997 (rough estimate)
Brechungsindex: 1.48 · 1.4800 (estimate)
Flammpunkt: 185 °C/15mm · 185°C/15mm
storage temp.: Inert atmosphere,Room Temperature
pka: 13.03 · 13.03±0.10(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: Light yellow to beige
Wasserlöslichkeit: Soluble in water.
BRN: 116016 · 116016
InChI: InChI=1S/C7H9NO2/c9-4-6-2-1-3-7(5-10)8-6/h1-3,9-10H,4-5H2
InChIKey: WWFMINHWJYHXHF-UHFFFAOYSA-N
SMILES: C1(CO)=NC(CO)=CC=C1
CAS Datenbank: 1195 · 1195-59-1(CAS DataBase Reference)
NIST chemische Informationen: 2 · Pyridine, 2,6-dicarbinol(1195-59-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (96.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (96.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 51 reports by companies from 7 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 InformationStatus: Active Update: 01-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31701

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (96.1%)；STOT SE 3 (96.1%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 01-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31701

Sicherheitsdaten

F: 23
wgk: 3
hs_code: 29333999
risk_code: 37/38-41-36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-39-24/25-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2,6-Pyridinedimethanol can be used as a quantum dot solution for photoelectric device and biomedicine and also a ligand to synthesize a variety of metal complexes and catalysts.