6-Bromo-1,2,3,4-tetrahydro-4,4-dimethylquinoline

HCID 10823932CAS 135631-91-3

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Grundinformationen

Standard-SMILES: CC1(C)CCNc2ccc(Br)cc21
InChIKey: WBOOAXJWGJAIMB-UHFFFAOYSA-N
Summenformel: C11H14BrN
Durchschnittliche Molmasse: 240,14 g/mol
Monoisotopische Masse: 239,03096

Namen und Bezeichner

Bevorzugter Name: 6-Bromo-1,2,3,4-tetrahydro-4,4-dimethylquinoline
IUPAC: 6-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline
Englischer Name: 6-bromo-1,2,3,4-tetrahydro-4,4-dimethylquinoline hydrochloride
Summenformel: C11H14BrN
Molmasse: 240.14

Namen und Synonyme

135631-91-36-bromo-1,2,3,4-tetrahydro-4,4-dimethylQuinolineRefChem:3072876-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline6-bromo-4,4-dimethyl-1,2,3,4-tetrahydroquinoline6-BROMO-4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-QUINOLINEMFCD09701997Quinoline, 6-bromo-1,2,3,4-tetrahydro-4,4-dimethyl-SCHEMBL1396642WBOOAXJWGJAIMB-UHFFFAOYSA-NAKOS024028374SB33002

Weitere Namen anzeigen

6-broMo-14-tetrahydro-4CAS:135631-91-34-diMethylquinoline hydrochloride6-Bromo-4,4-dimethyl-1,2,3,4-tetrahydroquinoline, HCl6-BroMo-1,2,3,4-tetrahydro-4,4-diMethyl-quinoline HCl6-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline,hydrochloride

SY033774CS-02792986-Bromo-44-dimethyl-23-dihydro-1H-quinolineEN300-739656F16236F6868684,4-Dimethyl-6-bromo-1,2,3,4-tetrahydroquinoline6-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline hydrochloride

Datenbank-Bezeichner

CAS: 135631-91-3
PubChem CID: 10823932
EC Number: 839-077-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,9
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 13
Formalladung: 0
Komplexität: 191

Physikochemische Eigenschaften

Siedepunkt: 304.9 · 304.9±41.0 °C(Predicted)
Dichte: 1.284 · 1.284±0.06 g/cm3(Predicted)
storage temp.: Room temperature.
pka: 4.33 · 4.33±0.40(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): 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 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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.