1,2,3,4-Tetrahydro-2,2,4-trimethylchinolin

Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl-

HCID 107292CAS 4497-58-9

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Grundinformationen

Standard-SMILES: CC1CC(C)(C)Nc2ccccc21
InChIKey: KSNRDYQOHXQKAB-UHFFFAOYSA-N
Summenformel: C12H17N
Durchschnittliche Molmasse: 175,27 g/mol
Monoisotopische Masse: 175,13609955

Namen und Bezeichner

Bevorzugter Name: Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl-
IUPAC: 2,2,4-trimethyl-3,4-dihydro-1H-quinoline
Lokaler Name: 1,2,3,4-Tetrahydro-2,2,4-trimethylchinolin
Englischer Name: 1,2,3,4-Tetrahydro-2,2,4-trimethylquinoline
Summenformel: C12H17N
Molmasse: 175.27

Namen und Synonyme

2,2,4-Trimethyl-1,2,3,4-tetrahydroquinoline4497-58-91,2,3,4-Tetrahydro-2,2,4-trimethylquinolineQuinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl-EINECS 224-791-9DTXSID20884081RefChem:871978DTXCID70841528224-791-92,2,4-trimethyl-3,4-dihydro-1H-quinolineMFCD00957562SCHEMBL592819

Weitere Namen anzeigen

MFCD001930511,2,3,4-Tetrahydro-2,2,4-trimethylchinolinN-butyl-N-[2-(4-nitrophenyl)ethyl]-1-butanamine

SCHEMBL3045168ALBB-024958SBB012707STK789028AKOS000270107AKOS016039956SY029882WS-02110

Datenbank-Bezeichner

CAS: 4497-58-9
PubChem CID: 107292
DTXSID: DTXSID20884081
EC Number: 224-791-9
Nikkaji: J205.868E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 13
Formalladung: 0
Komplexität: 186

Physikochemische Eigenschaften

Schmelzpunkt: 36 · 36-40°C
Siedepunkt: 248.1 ℃[at · 248.1℃[at 101 325 Pa]
Dichte: 0.953 · 0.953[at 20℃]
storage temp.: Refrigerator
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
Farbe: Off-White to Light Beige
EPA chemische Informationen: 1 · Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl- (4497-58-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264, P270, P273, P301+P317, P330, 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.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 22-01-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16879

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Aquatic Chronic 3 (100%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 22-01-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16879

Sicherheitsdaten

tsca: TSCA listed

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationQuinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden2,2,4-Trimethyl-1,2,3,4-tetrahydroquinoline is a reagent in the synthesis of tetrahydroquinoline sensitizers used for dye-sensitized solar cells. 2,2,4-Trimethyl-1,2,3,4-tetrahydroquinoline is also a reagent in the preparation of tetra- and pentacyclic derivatives of phenothiazinium photosensitizers which are used as photoantimicrobial agents.