2,6-Dimethylpyridin-3-ol

2,6-Dimethyl-3-pyridinol

HCID 70732CAS 1122-43-6

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Grundinformationen

Standard-SMILES: Cc1ccc(O)c(C)n1
InChIKey: AMQJAKKATFMFTR-UHFFFAOYSA-N
Summenformel: C7H9NO
Durchschnittliche Molmasse: 123,15 g/mol
Monoisotopische Masse: 123,06841391

Überblick

RN given refers to parent cpd

Namen und Bezeichner

Bevorzugter Name: 2,6-Dimethyl-3-pyridinol
IUPAC: 2,6-dimethylpyridin-3-ol
Lokaler Name: 2,6-Dimethylpyridin-3-ol
Englischer Name: 2,6-DIMETHYL-3-HYDROXYPYRIDINE
Summenformel: C7H9NO
Molmasse: 123.15

Namen und Synonyme

1122-43-62,6-Dimethyl-3-pyridinol2,6-Dimethyl-3-oxypyridine7Z5V74623SNSC-164026DTXSID801499462,6-dimethyl pyridinolRefChem:83288DTXCID0072437214-348-82,6-Dimethyl-3-hydroxypyridine2,6-Dimethylpyridin-3-ol

Weitere Namen anzeigen

3-HYDROXY-2,6-LUTIDINE2,6-dimethyl-3-pyridino2,6-DIMETHYLPYRIDINE-3-OL2,6-Dimethylpyridin-3-ol, 3-Hydroxy-2,6-lutidine2,6-DIMETHYL-3-HYDROXYPYRIDINE ISO 9001：2015 REACH

3-Pyridinol, 2,6-dimethyl-3-Hydroxy-2,6-dimethylpyridineMFCD00228692EINECS 214-348-82,6-Dimethyl-pyridin-3-olNSC 164026BRN 0111008UNII-7Z5V74623S

Datenbank-Bezeichner

CAS: 1122-43-6
PubChem CID: 70732
DTXSID: DTXSID80149946
UNII: 7Z5V74623S
EC Number: 214-348-8
Nikkaji: J31.356D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 33,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 94,9

Physikochemische Eigenschaften

Schmelzpunkt: 210 · 210-212°C
Siedepunkt: 278.9 · 278.9±35.0 °C(Predicted)
Dichte: 1.083 · 1.083±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: DMSO (Slightly, Sonicated), Methanol (Slightly, Sonicated)
Aggregatzustand: Solid
pka: 10.72 · 10.72±0.10(Predicted)
Farbe: Pale Yellow to Pale Beige
CAS Datenbank: 1122 · 1122-43-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

Sicherheitsdaten

hs_code: 2933399990
risk_code: 36/37/38
Toxizität: mammal (species unspecified),LD50,unreported,675mg/kg (675mg/kg),BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX),Pharmaceutical Chemistry Journal Vol. 16, Pg. 259, 1982.
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39-37/39