2-Methylchinolin-4-ol

2-Methylquinolin-4-ol

HCID 178428811CAS 607-67-0

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Grundinformationen

Standard-SMILES: Cc1cc(O)c2ccccc2n1
InChIKey: NWINIEGDLHHNLH-UHFFFAOYSA-N
Summenformel: C10H9NO
Durchschnittliche Molmasse: 159,18 g/mol
Monoisotopische Masse: 159,06841391

Namen und Bezeichner

Bevorzugter Name: 2-Methylquinolin-4-ol
IUPAC: 2-methyl-1H-quinolin-4-one
Lokaler Name: 2-Methylchinolin-4-ol
Englischer Name: 4-Hydroxy-2-methylquinoline
Summenformel: C10H9NO
Molmasse: 159.18

Namen und Synonyme

4-Hydroxy-2-methylquinoline2-Methylquinolin-4-ol607-67-0EINECS 210-140-6DTXSID40209515NSC 21483RefChem:476257DTXCID90132006210-140-62-methylquinolin-4(1H)-one2-Methyl-4-quinolinol2-methyl-1H-quinolin-4-one

Weitere Namen anzeigen

AKOS 914152-methylquinolinolTIMTEC-BB SBB0039794-HYDROXYQUINALDINE 98%2-Methyl-4-quinolinol >2-METHYL-4(1H)-QUINOLINONE

4-Quinolinol, 2-methyl-4-Hydroxyquinaldine2-Methyl-4-hydroxyquinoline4(1H)-Quinolinone, 2-methyl-MFCD000067582-Methyl-quinolin-4-ol1H-4-Oxoquinaldine2-methyl-quinolin-4(1H)-one

Datenbank-Bezeichner

CAS: 607-67-0
PubChem CID: 69089

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 29,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 232

Physikochemische Eigenschaften

Schmelzpunkt: 234 · 234-236 °C(lit.)
Siedepunkt: 284.68 °C · 284.68°C (rough estimate)
Dichte: 1.1202 · 1.1202 (rough estimate)
Brechungsindex: 1.607 · 1.6070 (estimate)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 4.44 · 4.44±0.40(Predicted)
Farbe: White to Light yellow
Wasserlöslichkeit: Slightly soluble in water.
BRN: 118320 · 118320
InChI: InChI=1S/C10H9NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h2-6H,1H3,(H,11,12)
InChIKey: NWINIEGDLHHNLH-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2)C(O)=CC=1C
LogP: 1.902 · 1.902 (est)
CAS Datenbank: 607 · 607-67-0(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4-Quinolinol, 2-methyl-(607-67-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): 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+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 45 reports by companies from 5 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.