2,6-Dichloro-4-(trifluoromethyl)pyridine

HCID 520968CAS 39890-98-7

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Grundinformationen

Standard-SMILES: FC(F)(F)c1cc(Cl)nc(Cl)c1
InChIKey: KVNQWVYYVLCZKK-UHFFFAOYSA-N
Summenformel: C6H2Cl2F3N
Durchschnittliche Molmasse: 215,98 g/mol
Monoisotopische Masse: 214,95163908

Namen und Bezeichner

Bevorzugter Name: 2,6-Dichloro-4-(trifluoromethyl)pyridine
IUPAC: 2,6-dichloro-4-(trifluoromethyl)pyridine
Englischer Name: 2,6-Dichloro-4-(trifluoromethyl)pyridine
Summenformel: C6H2Cl2F3N
Molmasse: 215.99

Namen und Synonyme

2,6-dichloro-4-(trifluoromethyl)pyridine39890-98-7DTXSID60334510RefChem:248245DTXCID70285600630-971-1MFCD000422462,6-Dichloro-4-trifluoromethylpyridineSCHEMBL561772Pyridine, 2,6-dichloro-4-(trifluoromethyl)-CS-W007641PB47380

Weitere Namen anzeigen

4-TrifluoroMethyl-2,6-dichloroprydine2,6-Dichloro-4-(trifluoromethyl)pyridine>2,6-Dichloro-4-(trifluoromethyl)pyridine 98%2,6-Dichloro-alpha,alpha,alpha-trifluoro-4-picoline2,6-Dichloro-4-(trifluoromethyl)pyridine ISO 9001：2015 REACH

PS-7933AC-245062,6-dichloro-4-(trifluoromethylpyridine)D46842,6-Dichloro-4-(trifluoromethyl)pyridine, 97%4-trifluoromethyl-2,6-dichloropyridine2,6-dichloro-4-(trifluSCHEMBL27786142

Datenbank-Bezeichner

CAS: 39890-98-7
PubChem CID: 520968
DTXSID: DTXSID60334510
EC Number: 630-971-1
Nikkaji: J1.507.614C

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: 151

Physikochemische Eigenschaften

Siedepunkt: 85 °C · 85°C 40mm
Dichte: 1.505 g/mL · 1.505 g/mL at 25 °C
Brechungsindex: 20 · n20/D 1.473
Flammpunkt: 70 · 70-75°C/25mm
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
pka: -4.51 · -4.51±0.10(Predicted)
Farbe: Colorless to Light yellow
InChI: InChI=1S/C6H2Cl2F3N/c7-4-1-3(6(9,10)11)2-5(8)12-4/h1-2H
InChIKey: KVNQWVYYVLCZKK-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=CC(C(F)(F)F)=C1
CAS Datenbank: 39890 · 39890-98-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (82.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, 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 51 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 (82.4%)

Sicherheitsdaten

wgk: 3
ridadr: UN2810
hs_code: 2933399990
risk_code: 36/37/38-25
hazard_code: T,F,Xi
safety_code: 26-36/37/39-45
hazard_class: 6.1
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

Chemie und Industrie

Anwendungen

Verwenden2,6-Dichloro-4-(trifluoromethyl)pyridine is a tri-substituted pyridine used in the preparation of pharmaceuticals agents with antitumor activities.