2-Chloro-6-(trifluoromethyl)pyridine

HCID 602334CAS 39890-95-4

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Grundinformationen

Standard-SMILES: FC(F)(F)c1cccc(Cl)n1
InChIKey: ADVQMCQMDHBTHJ-UHFFFAOYSA-N
Summenformel: C6H3ClF3N
Durchschnittliche Molmasse: 181,54 g/mol
Monoisotopische Masse: 180,99061144

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-6-(trifluoromethyl)pyridine
IUPAC: 2-chloro-6-(trifluoromethyl)pyridine
Englischer Name: 2-Chloro-6-(trifluoromethyl)pyridine
Summenformel: C6H3ClF3N
Molmasse: 181.54

Namen und Synonyme

2-Chloro-6-(trifluoromethyl)pyridine39890-95-4DTXSID40345169ADVQMCQMDHBTHJ-UHFFFAOYSA-RefChem:469592DTXCID40296243624-440-3InChI=1/C6H3ClF3N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H2-Chloro-6-trifluoromethylpyridineMFCD000422262-Chloro-6-trifluoromethyl-pyridine2-chloro-6-(trifluoromethyl)-pyridine

Weitere Namen anzeigen

FINE ORGANIC COMPOUNDoro-6-(trifLPYRIDINE DERIVATBUTTPARK 27\08-82Chloro-6-(trifluoroMethyl)pyr2-Chloro-5-trifluoromethylpyri2-CHLORO-6-TRIFLUOROMETHYLPRIDINE

AB01904AC-9466C1986EN300-501482-chloro-6-trifluoromethyl pyridinepyridine, 2-chloro-6-(trifluoromethyl)-6-Chloro-2-(trifluoromethyl)pyridineA6657

Datenbank-Bezeichner

CAS: 39890-95-4
PubChem CID: 602334
DTXSID: DTXSID40345169
EC Number: 624-440-3
Nikkaji: J1.309.346F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
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: 33 °C · 33 °C
Siedepunkt: 60 · 60-62°C 8mm
Dichte: 1.416 · 1.416±0.06 g/cm3(Predicted)
Flammpunkt: 78 °C · 78°C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Wasserlöslichkeit: Insoluble in water
Aggregatzustand: powder to lump
pka: -4.3 · -4.30±0.10(Predicted)
Farbe: White to Almost white
BRN: 4308910 · 4308910
InChI: InChI=1S/C6H3ClF3N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H
InChIKey: ADVQMCQMDHBTHJ-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(C(F)(F)F)=CC=C1
CAS Datenbank: 39890 · 39890-95-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H300 (83.3%): 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 48 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 (83.3%)

Sicherheitsdaten

wgk: 3
ridadr: 2811
hs_code: 29333990
risk_code: 25-20/21/22-36/37/38-36
hazard_code: T;Xn,Xi,Xn,T
hazard_note: Irritant
safety_code: 26-36/37/39-45-36/37-9-36
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Acute Tox. 2 OralEye Irrit. 2