5-Bromo-2-(trifluoromethyl)pyridine

HCID 2761197

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Grundinformationen

CAS: 436799-32-5
Standard-SMILES: FC(F)(F)c1ccc(Br)cn1
InChIKey: RPFAUCIXZGMCFN-UHFFFAOYSA-N
Summenformel: C6H3BrF3N
Durchschnittliche Molmasse: 225,99 g/mol
Monoisotopische Masse: 224,94009586

Namen und Bezeichner

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

Namen und Synonyme

5-Bromo-2-(trifluoromethyl)pyridine436799-32-5DTXSID70375616RefChem:301585DTXCID30326644629-029-22-Trifluoromethyl-5-bromopyridine5-Bromo-2-trifluoromethylpyridineMFCD06657686C6H3BrF3N5-Bromo-2-trifluoromethyl-pyridine3-bromo-6-trifluoromethylpyridine

Weitere Namen anzeigen

C6H3BrF3N=M 225.99TRIFLUOROMETHYL-5-BROMO-2-PYRIDINE3-Bromo-6-(trifluoromethyl) pyridine5-Bromo-2-(trifluoromethyl)pyridine97%5-Bromo-2-(trifluoromethyl)pyridine >5-Bromo-2-(trifluoromethyl)pyridine 97%

5-bromo-2(trifluoromethyl)pyridineCS-D0796AB25626Pyridine, 5-bromo-2-(trifluoromethyl)-HY-66030SY001007trifluoromethyl-5-bromopyridine5-Bromo-2-(trifluoromethyl)

Datenbank-Bezeichner

CAS: 436799-32-5
PubChem CID: 2761197
DTXSID: DTXSID70375616
EC Number: 629-029-2
Nikkaji: J1.688.880J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
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 · 44-46 °C
Siedepunkt: 68 · 68-70°C 10mm
Dichte: 1.707 · 1.707±0.06 g/cm3(Predicted)
Flammpunkt: 174 °F · 174 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: -1.8 · -1.80±0.22(Predicted)
Farbe: White to Almost white
InChI: InChI=1S/C6H3BrF3N/c7-4-1-2-5(11-3-4)6(8,9)10/h1-3H
InChIKey: RPFAUCIXZGMCFN-UHFFFAOYSA-N
SMILES: C1(C(F)(F)F)=NC=C(Br)C=C1
CAS Datenbank: 436799 · 436799-32-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (89.8%): Toxic 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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (89.8%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29333990
risk_code: 25-36/37/38
hazard_code: T,Xi
safety_code: 26-36/37/39-37-45
hazard_class: IRRITANT
packing_group: Ⅲ
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3