2,6-Dimethylquinoline (HCID 13414)

Namen und Bezeichner

Bevorzugter Name: 2,6-Dimethylquinoline
IUPAC: 2,6-dimethylquinoline
Lokaler Name: 2,6-Dimethylchinolin
Englischer Name: 2,6-DIMETHYLQUINOLINE
Summenformel: C11H11N
Molmasse: 157.21

Namen und Synonyme

2,6-DIMETHYLQUINOLINE877-43-06-Methylquinaldinep-ToluquinaldineQuinoline, 2,6-dimethyl-2,6-dimethyl quinolineKST0M1T4MBNSC-1782DTXSID0044153RefChem:83341DTXCID8024153212-891-5

Weitere Namen anzeigen

6-Methylquildine, 99%2,6-dimethyl-quinolin2,6-Dimethylquinoline >2,6-Dimethylquinoline,98%2,6-DiMethylquinoline, 98% 10GR2,6-Dimethylquinoline, 10 mM in DMSO

MFCD000067622,6-Dimethyl-quinolineCHEMBL194502UNII-KST0M1T4MBNSC 1782EINECS 212-891-52.6-DimethylquinolineQuinoline,6-dimethyl-

Datenbank-Bezeichner

CAS: 877-43-0
PubChem CID: 13414
DTXSID: DTXSID0044153
ChEMBL: CHEMBL194502
UNII: KST0M1T4MB
EC Number: 212-891-5
Nikkaji: J7.152H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 155

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLight brown crystalline powder; [Alfa Aesar MSDS]

Kovats Retention Index · 3 Einträge

1397；1414；1397；1414；1399；1434.7

1429；1411.8；1411.1；243.76；243.86；244.19；242.43

2019；2044；2019；2044；2019；2044；2036

Physikochemische Eigenschaften

Schmelzpunkt: 57 · 57-59 °C (lit.)
Siedepunkt: 266 · 266-267 °C
Dichte: 1.0491 · 1.0491 (estimate)
Brechungsindex: 1.6103 · 1.6103 (estimate)
Flammpunkt: 266 · 266-267°C
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: Crystalline
pka: 1 · pK1:5.46(+1) (25°C)
Farbe: White to Almost white
InChI: 1S/C11H11N/c1-8-3-6-11-10(7-8)5-4-9(2)12-11/h3-7H,1-2H3
InChIKey: JJPSZKIOGBRMHK-UHFFFAOYSA-N
SMILES: Cc1ccc2nc(C)ccc2c1
CAS Datenbank: 877 · 877-43-0(CAS DataBase Reference)
EPA chemische Informationen: 2 · Quinoline, 2,6-dimethyl- (877-43-0)

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 (97.7%): 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 43 reports by companies from 3 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 Information · 2 Einträge

Chemical: Quinoline, 2,6-dimethyl-

Quinoline, 2,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Quinoline.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: Quinoline, 2,6-dimethyl-

Quinoline, 2,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29334900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationQuinoline, 2,6-dimethyl-: ACTIVE

Anwendungen

Verwenden2,6-Dimethylquinoline was used to study the inhibition potencies (IC50 values) of structurally diverse chemicals with recombinant human CYP2B6 enzyme for in vitro research purposes.