6-(Trifluoromethyl)nicotinoyl chloride
Grundinformationen
- CAS
358780-13-9- Standard-SMILES
O=C(Cl)c1ccc(C(F)(F)F)nc1- InChIKey
DDIXMUVENCORLG-UHFFFAOYSA-N- Summenformel
- C7H3ClF3NO
- Durchschnittliche Molmasse
- 209,55 g/mol
- Monoisotopische Masse
- 208,9855259
Namen und Bezeichner
- Bevorzugter Name
- 6-(Trifluoromethyl)nicotinoyl chloride
- IUPAC
- 6-(trifluoromethyl)pyridine-3-carbonyl chloride
- Englischer Name
- 6-(Trifluoromethyl)nicotinoyl chloride
- Summenformel
- C7H3ClF3NO
- Molmasse
- 209.55
Namen und Synonyme
6-(Trifluoromethyl)nicotinoyl chloride358780-13-9DTXSID10380562RefChem:306985DTXCID00331588627-000-96-(trifluoromethyl)pyridine-3-carbonyl chlorideMFCD018626456-Trifluoromethylnicotinoyl chloride6-(trifluoromethyl)nicotinoylchloride6-(trifluoromethyl)nicotinyl chloride6-(trifluoromethyl)-3-pyridinecarbonyl chloride
Weitere Namen anzeigen
6-(Trifluoromethyl)nicotinoylchloride98%6-(Trifluoromethyl)nicotinoyl chloride 98%6-(Trifluoromethyl)nicotinoyl chloride, tech grade6-(Trifluoromethyl)pyridine-3-carbonyl chloride 97%3-Pyridinecarbonyl chloride, 6-(trifluoromethyl)- (9CI)
3-Pyridinecarbonyl chloride, 6-(trifluoromethyl)-SCHEMBL627545SCHEMBL303958836-trifluoromethyl nicotinoyl chloride6-Trifluoromethyl-nicotinoyl chlorideGEO-02390SBB094236AKOS005063516
Datenbank-Bezeichner
- CAS
358780-13-9- PubChem CID
- 2777557
- DTXSID
DTXSID10380562- EC Number
- 627-000-9
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 30 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 206
Physikochemische Eigenschaften
- Siedepunkt
- 54 °C2 · 54 °C2 mm Hg(lit.)
- Dichte
- 1.438 g/mL · 1.438 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.4750(lit.)
- Flammpunkt
- 228 °F · 228 °F
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- solid
- pka
- -2.05 · -2.05±0.22(Predicted)
- Farbe
- Colourless to white loe melting
- InChI
- 1S/C7H3ClF3NO/c8-6(13)4-1-2-5(12-3-4)7(9,10)11/h1-3H
- InChIKey
- DDIXMUVENCORLG-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1ccc(cn1)C(Cl)=O
- CAS Datenbank
- 358780 · 358780-13-9(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3265 8/PG 3
- hs_code
- 2933399990
- risk_code
- 22-34
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Acute Tox. 4 OralSkin Corr. 1B
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