4-Bromo-2,8-bis(trifluoromethyl)quinoline

HCID 4071242

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 35853-45-3
Standard-SMILES: FC(F)(F)c1cc(Br)c2cccc(C(F)(F)F)c2n1
InChIKey: DXALAFAFIXJDOS-UHFFFAOYSA-N
Summenformel: C11H4BrF6N
Durchschnittliche Molmasse: 344,05 g/mol
Monoisotopische Masse: 342,94313

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-2,8-bis(trifluoromethyl)quinoline
IUPAC: 4-bromo-2,8-bis(trifluoromethyl)quinoline
Englischer Name: 2,8-Bis(trifluoromethyl)-4-bromoquinoline
Summenformel: C11H4BrF6N
Molmasse: 344.05

Namen und Synonyme

4-Bromo-2,8-bis(trifluoromethyl)quinoline35853-45-3DTXSID60399008RefChem:98046DTXCID20349867609-183-72,8-Bis(trifluoromethyl)-4-bromoquinolineMFCD00075340C11H4BrF6NCC-PMLSC-DMA-P1084-bromo-2,8-bistrifluoromethylquinolineSCHEMBL2790491

Weitere Namen anzeigen

2,8-BIS(TRIFL)-4-BROMOQUINOL1-METHYL-3-(AMINOMETHYL)PIPERIDINE2,8-BIS(TRIFLUOROMETHYL)-4-BROMOQUINOLIN4-Bromo-2,8-bis(trifluoromethyl)quinoline, >=98%2,8-BIS(TRIFLUOROMETHYL)-4-BROMOQUINOLINE ISO 9001：2015 REACH

BDBM35448cid_4071242AKOS015853172AB02869SY023885CS-0155815Quinoline, 4-bromo-2,8-bis(trifluoromethyl)-Quinoline, 4-bromo

Datenbank-Bezeichner

CAS: 35853-45-3
PubChem CID: 4071242
DTXSID: DTXSID60399008
EC Number: 609-183-7
Nikkaji: J2.126.740F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,7
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 0
Schwere Atome: 19
Formalladung: 0
Komplexität: 328

Physikochemische Eigenschaften

Schmelzpunkt: 62 · 62-64 °C(lit.)
Siedepunkt: 281.6 · 281.6±35.0 °C(Predicted)
Dichte: 1.72 · 1.720±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Crystalline Powder
pka: -3.67 · -3.67±0.50(Predicted)
Farbe: Off-white to yellow

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 (100%): 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 40 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.