2,6-Dichloro-3-(trifluoromethyl)pyridine

HCID 1810337CAS 55304-75-1

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Grundinformationen

Standard-SMILES: FC(F)(F)c1ccc(Cl)nc1Cl
InChIKey: UPWAAFFFSGQECJ-UHFFFAOYSA-N
Summenformel: C6H2Cl2F3N
Durchschnittliche Molmasse: 215,98 g/mol
Monoisotopische Masse: 214,95163908

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 2,6-Dichloro-3-(trifluoromethyl)pyridine
IUPAC: 2,6-dichloro-3-(trifluoromethyl)pyridine
Englischer Name: 2,6-Dichloro-3-(trifluoromethyl)pyridine
Summenformel: C6H2Cl2F3N
Molmasse: 215.99

Namen und Synonyme

2,6-Dichloro-3-(trifluoromethyl)pyridine55304-75-12,6-Dichloro-3-trifluoromethylpyridineDTXSID00203852RefChem:83162DTXCID30126343259-585-8MFCD000422452,6-Dichloro-3-trifluoromethyl-pyridinePyridine, 2,6-dichloro-3-(trifluoromethyl)-2,6-dichloro-5-trifluoromethylpyridineEINECS 259-585-8

Weitere Namen anzeigen

2,6-Dichloro-3-[trifluoromethy2,6-DICHLORO-3-(TRIFLUOROMETHYL)PYRIDIN&2,6-Dichloro-3-(trifluoromethyl)pyridine,97%2,6-DICHLORO-3-[TRIFLUOROMETHYL]-PYRIDINE 99+%2,6-Dichloro-3-(trifluoromethyl)pyridine - [D4528]2,6-Dichloro-alpha,alpha,alpha-trifluoro-3-picoline2,6-DICHLORO-3-(TRIFLUOROMETHYL)PYRIDINE, PURISS, 98%2,6-Dichloro-3-(trifluoromethyl)pyridine ISO 9001：2015 REACH

2,6-dichloro-3-(trifluoromethyl)-pyridineSCHEMBL855349SCHEMBL29388275HMS1786K12RB1094SBB095178AKOS001044538CS-W008192

Datenbank-Bezeichner

CAS: 55304-75-1
PubChem CID: 1810337
DTXSID: DTXSID00203852
EC Number: 259-585-8
Nikkaji: J62.501I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 161

Physikochemische Eigenschaften

Schmelzpunkt: 194 °C · 194 °C
Siedepunkt: 194 · 194-196 °C(lit.)
Dichte: 2.008 g/mL · 2.008 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.4850(lit.)
Flammpunkt: 218 °F · 218 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: -4.84 · -4.84±0.10(Predicted)
BRN: 1570287 · 1570287
InChI: InChI=1S/C6H2Cl2F3N/c7-4-2-1-3(5(8)12-4)6(9,10)11/h1-2H
InChIKey: UPWAAFFFSGQECJ-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=CC=C1C(F)(F)F
CAS Datenbank: 55304 · 55304-75-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H300 (85.1%): Fatal if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+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 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 (85.1%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2810 6.1/PG 3
hs_code: 29333990
risk_code: 25-36/37/38
hazard_code: T,Xi
hazard_note: Harmful/Irritant
safety_code: 26-36/37-45
hazard_class: 6.1
packing_group: III

Chemie und Industrie

Anwendungen

Verwenden2,6-Dichloro-3-(trifluoromethyl)pyridine is a fluorine-containing pyridine derivative that can be used in cross-coupling reactions of polyhalogenated heterocycles and in the preparation of other aryl pyridines.