2-Chloro-4-iodo-5-(trifluoromethyl)pyridine

HCID 2773791CAS 505084-55-9

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Grundinformationen

Standard-SMILES: FC(F)(F)c1cnc(Cl)cc1I
InChIKey: XEEQBBXEZSNIQV-UHFFFAOYSA-N
Summenformel: C6H2ClF3IN
Durchschnittliche Molmasse: 307,44 g/mol
Monoisotopische Masse: 306,8872594

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-4-iodo-5-(trifluoromethyl)pyridine
IUPAC: 2-chloro-4-iodo-5-(trifluoromethyl)pyridine
Englischer Name: 2-chloro-5-(trifluoromethyl)-4-iodopyridine
Summenformel: C6H2ClF3IN
Molmasse: 307.44

Namen und Synonyme

505084-55-92-chloro-4-iodo-5-(trifluoromethyl)pyridineDTXSID40378715RefChem:258764DTXCID40329742808-025-62-chloro-5-(trifluoromethyl)-4-iodopyridineMFCD018620992-Chloro-4-iodo-5-trifluoromethyl-pyridinePyridine, 2-chloro-4-iodo-5-(trifluoromethyl)-SCHEMBL432680AKOS005063880

Weitere Namen anzeigen

CAS:505084-55-9chloro-5-(trifluoromethyl)-4-iodopyridine2-CHLORO-5-(TRIFLUOROMETHYL)-4-IODOPHRIDINE2-Chloro-4-iodo-5-(trifluoromethyl)pyridine >2-chloro -4-iodine -5- threefluorineMethyl pyridine2-Chloro-4-iodo-5-(trifluoromethyl)pyridine,tech.90%

CS-W013962AC-5748PB12965PS-7096SY018000BCP11605AM20061264SCHEMBL29395367

Datenbank-Bezeichner

CAS: 505084-55-9
PubChem CID: 2773791
DTXSID: DTXSID40378715
EC Number: 808-025-6
Nikkaji: J3.036.376K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 163

Physikochemische Eigenschaften

Schmelzpunkt: 126 to · 126.0 to 130.0 °C
Siedepunkt: 257.6 · 257.6±40.0 °C(Predicted)
Dichte: 2.046 · 2.046±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Methanol
Aggregatzustand: Solid
pka: -2.74 · -2.74±0.10(Predicted)
Farbe: Light Tan
InChI: InChI=1S/C6H2ClF3IN/c7-5-1-4(11)3(2-12-5)6(8,9)10/h1-2H
InChIKey: XEEQBBXEZSNIQV-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(C(F)(F)F)C(I)=C1
CAS Datenbank: 505084 · 505084-55-9

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 2933399990
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

Verwenden2-chloro-5-(trifluoromethyl)-4-iodopyridine is used in preparation of pyridine-2,4-diamine derivatives as FAK inhibitors for the treatment of arthritis, inflammatory and immune disorders.