3-(Trifluoromethyl)pyridine-2-carboxaldehyde

HCID 14761470

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Grundinformationen

CAS: 131747-62-1
Standard-SMILES: O=Cc1ncccc1C(F)(F)F
InChIKey: FIIIEUQXYKDPRD-UHFFFAOYSA-N
Summenformel: C7H4F3NO
Durchschnittliche Molmasse: 175,11 g/mol
Monoisotopische Masse: 175,02449841

Namen und Bezeichner

Bevorzugter Name: 3-(Trifluoromethyl)pyridine-2-carboxaldehyde
IUPAC: 3-(trifluoromethyl)pyridine-2-carbaldehyde
Englischer Name: 3-Trifluoromethyl-2-formylpyridine
Summenformel: C7H4F3NO
Molmasse: 175.11

Namen und Synonyme

131747-62-13-(Trifluoromethyl)pyridine-2-carboxaldehydeRefChem:496424812-072-83-(trifluoromethyl)pyridine-2-carbaldehyde3-Trifluoromethyl-2-formylpyridine3-(Trifluoromethyl)picolinaldehydeMFCD073753872-Pyridinecarboxaldehyde, 3-(trifluoromethyl)-3-(Trifluoromethyl)-2-formylpyridine3-trifluoromethyl-pyridine-2-carbaldehyde2-Pyridinecarboxaldehyde,3-(trifluoromethyl)-

Weitere Namen anzeigen

3-(Trifluoromethyl)-pyridin-2-carbaldehyde3-(Trifluoromethyl)-2-pyridinecarbaldehyde3-Trifluoromethyl-2-pyridinecarboxaldehyde3-(TRIFLUOROMETHYL)-2-PYRIDINECARBOXYALDEHYDE

SCHEMBL586118SCHEMBL969563DTXSID50563711JLQYOMNFAHCGJO-UHFFFAOYSA-N3-(trifluoromethyl) picolinaldehyde2-Pyridinecarboxaldehyde, 3-(trifluSBB065483AKOS005063759

Datenbank-Bezeichner

CAS: 131747-62-1
PubChem CID: 14761470
DTXSID: DTXSID50563711
EC Number: 812-072-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 30 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 169

Physikochemische Eigenschaften

Siedepunkt: 200 · 200.0±40.0 °C(Predicted)
Dichte: 1.369 · 1.369±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: solid
pka: 0.65 · 0.65±0.10(Predicted)
InChI: InChI=1S/C7H4F3NO/c8-7(9,10)5-2-1-3-11-6(5)4-12/h1-4H
InChIKey: FIIIEUQXYKDPRD-UHFFFAOYSA-N
SMILES: C1(C=O)=NC=CC=C1C(F)(F)F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, 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 2 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 (50%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2933399990
risk_code: 43
hazard_code: Xi
hazard_note: Irritant
safety_code: 36/37
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralSkin Sens. 1