(2-Chloro-6-methylpyridin-4-yl)methanol

HCID 22504306

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Grundinformationen

CAS: 152815-18-4
Standard-SMILES: Cc1cc(CO)cc(Cl)n1
InChIKey: YXPVCSWOMRFRCS-UHFFFAOYSA-N
Summenformel: C7H8ClNO
Durchschnittliche Molmasse: 157,6 g/mol
Monoisotopische Masse: 157,0294416

Namen und Bezeichner

Bevorzugter Name: (2-Chloro-6-methylpyridin-4-yl)methanol
IUPAC: (2-chloro-6-methyl-4-pyridinyl)methanol
Englischer Name: (2-chloro-6-methylpyridin-4-yl)methanol
Summenformel: C7H8ClNO
Molmasse: 157.6

Namen und Synonyme

(2-chloro-6-methylpyridin-4-yl)methanol152815-18-4RefChem:395643961-776-2MFCD16607334(2-Chloro-6-methyl-4-pyridyl)methanol(2-chloro-6-methyl-pyridin-4-yl)-methanolSCHEMBL501235SCHEMBL5898063YXPVCSWOMRFRCS-UHFFFAOYSA-NSB534442-chloro4-hydroxymethyl-6-methylpyridine

Weitere Namen anzeigen

4-Pyridinemethanol, 2-chloro-6-methyl-

DA-09949SY269196WS-02020(2-chloro-6-methylpyridin-4-yl)-methanol2-chloro-4-hydroxymethyl-6-methylpyridineCS-0214821EN300-1965678F539447

Datenbank-Bezeichner

CAS: 152815-18-4
PubChem CID: 22504306
EC Number: 961-776-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 33,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 110

Physikochemische Eigenschaften

Siedepunkt: 280.9 · 280.9±35.0 °C(Predicted)
Dichte: 1.263 · 1.263±0.06 g/cm3(Predicted)
Aggregatzustand: solid
pka: 13.1 · 13.10±0.10(Predicted)
InChI: 1S/C7H8ClNO/c1-5-2-6(4-10)3-7(8)9-5/h2-3,10H,4H2,1H3
InChIKey: YXPVCSWOMRFRCS-UHFFFAOYSA-N
SMILES: ClC1=NC(C)=CC(CO)=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.