2-Bromo-5-(trifluoromethyl)pyridine

HCID 2736434

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Grundinformationen

CAS: 50488-42-1
Standard-SMILES: FC(F)(F)c1ccc(Br)nc1
InChIKey: GSKMWMFOQQBVMI-UHFFFAOYSA-N
Summenformel: C6H3BrF3N
Durchschnittliche Molmasse: 225,99 g/mol
Monoisotopische Masse: 224,94009586

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-5-(trifluoromethyl)pyridine
IUPAC: 2-bromo-5-(trifluoromethyl)pyridine
Englischer Name: 2-Bromo-5-(trifluoromethyl)pyridine
Summenformel: C6H3BrF3N
Molmasse: 225.99

Namen und Synonyme

2-Bromo-5-(trifluoromethyl)pyridine50488-42-1DTXSID20371360RefChem:257315DTXCID40322394628-661-62-bromo-5-trifluoromethylpyridineMFCD001530862-bromo-5-trifluoromethyl-pyridine5-(trifluoromethyl)-2-bromopyridineRB16702-Bromo-5-(trifluoromethyl) pyridine

Weitere Namen anzeigen

2-Bromo-5-(trifLBUTTPARK 27\06-862-bromo-5-(trifluoromethyl)pyr2-Bromo-5-trilfuoromethylpyridine2-Bromo-5-(trifluomethyl)pyridine2-bromo-5-(trifuorometnyl)pyridine2-bromo-5-(trifluoromethyl)pyridne

2-bromo-5-(trifluoromethyl)-pyridineAKOS005063713FG-04786-Bromo-3-trifluoromethylpyridinePYRIDINE, 2-BROMO-5-(TRIFLUOROMETHYL)-2-Bromo-5-Trifluoromethyl PyridineFT-0611472SCHEMBL67213

Datenbank-Bezeichner

CAS: 50488-42-1
PubChem CID: 2736434
DTXSID: DTXSID20371360
EC Number: 628-661-6
Nikkaji: J1.688.881H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 136

Physikochemische Eigenschaften

Schmelzpunkt: 44 · 44-48 °C
Siedepunkt: 78 °C · 78 °C
Dichte: 1.707 · 1.707±0.06 g/cm3(Predicted)
Flammpunkt: 78 · 78-81°C/30mm
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Soluble in methanol and ethanol.
Aggregatzustand: Crystalline
pka: -1 · -1+-.0.10(Predicted)
InChI: InChI=1S/C6H3BrF3N/c7-5-2-1-4(3-11-5)6(8,9)10/h1-3H
InChIKey: GSKMWMFOQQBVMI-UHFFFAOYSA-N
SMILES: C1(Br)=NC=C(C(F)(F)F)C=C1
CAS Datenbank: 50488 · 50488-42-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H300 (83%): Fatal if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 2 (83%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29333990
risk_code: 25-36/37/38-20/21/22
hazard_code: T,Xi,Xn
safety_code: 26-36/37/39-22-36
hazard_class: IRRITANT
packing_group: Ⅲ
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Acute Tox. 2 OralEye Irrit. 2Skin Irrit. 2STOT SE 3