4-Iodo-2-(trifluoromethyl)pyridine

HCID 23436940CAS 590371-73-6

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Grundinformationen

Standard-SMILES: FC(F)(F)c1cc(I)ccn1
InChIKey: OYQSAEIWDLIZHC-UHFFFAOYSA-N
Summenformel: C6H3F3IN
Durchschnittliche Molmasse: 272,99 g/mol
Monoisotopische Masse: 272,92623176

Namen und Bezeichner

Bevorzugter Name: 4-Iodo-2-(trifluoromethyl)pyridine
IUPAC: 4-iodo-2-(trifluoromethyl)pyridine
Englischer Name: 4-Iodo-2-(trifluoromethyl)pyridine
Summenformel: C6H3F3IN
Molmasse: 272.99

Namen und Synonyme

4-iodo-2-(trifluoromethyl)pyridine590371-73-6DTXSID70634098RefChem:99438DTXCID00584850691-034-0MFCD082349392-(trifluoromethyl)-4-iodopyridinePyridine, 4-iodo-2-(trifluoromethyl)-SCHEMBL365253SCHEMBL296233494-iodo-2-trifluoromethylpyridine

Weitere Namen anzeigen

4-lodo-2-(trifluoromethyl)pyridine4-IODE-2-(TRIFLUOROMETHYL)PYRIDINEPyridine,4-iodo-2-(trifluoromethyl)-4-Iodo-2-(trifluoromethyl)pyridine97%4-Iodo-2-(trifluoromethyl)pyridine 97%4-Iodo-2-(trifluoromethyl)pyridine ISO 9001：2015 REACH4-Iode-2-(trifluoromethyl)pyridine (not restricted/prohibited)(lab chemical)

SBB054363AKOS015853872CS-W018675PS-7268AC-22565SY014838DB-023068EN300-213769

Datenbank-Bezeichner

CAS: 590371-73-6
PubChem CID: 23436940
DTXSID: DTXSID70634098
EC Number: 691-034-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
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: 24 · 24-26 °C
Siedepunkt: 206.2 · 206.2±35.0 °C(Predicted)
Dichte: 1.974 g/ml · 1.974g/ml
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: liquid
pka: -0.82 · -0.82±0.20(Predicted)
Farbe: Clear, colourless to pale yellow
InChI: InChI=1S/C6H3F3IN/c7-6(8,9)5-3-4(10)1-2-11-5/h1-3H
InChIKey: OYQSAEIWDLIZHC-UHFFFAOYSA-N
SMILES: C1(C(F)(F)F)=NC=CC(I)=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

hs_code: 2933399990
hazard_code: Xi
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

Verwenden4-Iodo-2-(trifluoromethyl)pyridine is used as a reagent in the synthesis of aminoisoindoles as β-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors which exhibit in vivo brain reduction of β-amyloid peptides.