3-Methylchinolin

3-Methylquinoline

HCID 11926CAS 612-58-8

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Grundinformationen

Standard-SMILES: Cc1cnc2ccccc2c1
InChIKey: DTBDAFLSBDGPEA-UHFFFAOYSA-N
Summenformel: C10H9N
Durchschnittliche Molmasse: 143,18 g/mol
Monoisotopische Masse: 143,07349929

Überblick

3-methylquinoline is a methylquinoline. It has a role as a xenobiotic.

Namen und Bezeichner

Bevorzugter Name: 3-Methylquinoline
IUPAC: 3-methylquinoline
Lokaler Name: 3-Methylchinolin
Englischer Name: 3-Methylquinoline
Summenformel: C10H9N
Molmasse: 143.19

Namen und Synonyme

3-METHYLQUINOLINE612-58-8Quinoline, 3-methyl-3-Methyl-1-benzazineDTXSID602101081YC9RBW2G0NSC-109149CHEBI:20140RefChem:504349DTXCID20132599210-315-73-methyl-quinoline

Weitere Namen anzeigen

3-methyquinoline3-methyl-quinolin3-Methylquinoline>3-Methylquinoline,99%3-Methylquinoline, 98+%7-Chloro-8-methylquinolin-4-ol

MFCD00014661CCRIS 2896NSC 109149beta-MethylquinolineBRN 0110325METHYLQUINOLINE, 3-CHEMBL195661NSC109149

Datenbank-Bezeichner

CAS: 612-58-8
PubChem CID: 11926
DTXSID: DTXSID60210108
ChEMBL: CHEMBL195661
ChEBI: CHEBI:20140
UNII: 1YC9RBW2G0
EC Number: 210-315-7
Nikkaji: J94.919A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 133

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Quinolines

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Vapor Pressure0.00953 [mmHg]

Physical DescriptionMelting point = 16.5 deg C; [ChemIDplus] Colorless liquid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 16 · 16-17 °C (lit.)
Siedepunkt: 252 · 252-253 °C (lit.)
Dichte: 1.069 g/mL · 1.069 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.615(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Acetonitrile (Slightly), Chloroform (Slightly)
Aggregatzustand: powder to lump to clear liquid
pka: 5.17 · 5.17±0.11(Predicted)
Farbe: White or Colorless to Light yellow
BRN: 110325 · 110325
InChI: InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H3
InChIKey: DTBDAFLSBDGPEA-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2)C=C(C)C=1
CAS Datenbank: 612 · 612-58-8(CAS DataBase Reference)
NIST chemische Informationen: 3 · Quinoline, 3-methyl-(612-58-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H312 (88.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, 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.

Gefahrenhinweise

Hazards SummaryAn irritant; [Alfa Aesar MSDS] See Quinoline.

Hazard Classes and CategoriesAcute Tox. 4 (88.9%)

Sicherheitsdaten

wgk: 3
hs_code: 29334900
RTECS-Nr.: VC0527000
risk_code: 20/21/22-36/37/38-40-68-22
hazard_code: Xn,Xi
safety_code: 26-27-36/37/39-45
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 DermalCarc. 2Eye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-Methylquinoline may be used as carbon, nitrogen and energy supplement to investigate its degradation by Comamonas testosteroni 63. It may be used as ligand in the preparation of tetra-μ-benzoato-bis[(3-methylquinoline)copper(II)], a paddle-wheel-type dinuclear complex.