Grundinformationen
- Standard-SMILES
O=Cc1ccc(C(F)(F)F)nc1- InChIKey
MRPAGRCGPAXOGS-UHFFFAOYSA-N- Summenformel
- C7H4F3NO
- Durchschnittliche Molmasse
- 175,11 g/mol
- Monoisotopische Masse
- 175,02449841
Namen und Bezeichner
- Bevorzugter Name
- 6-(Trifluoromethyl)pyridine-3-carboxaldehyde
- IUPAC
- 6-(trifluoromethyl)pyridine-3-carbaldehyde
- Englischer Name
- 6-(Trifluoromethyl)pyridine-3-carboxaldehyde
- Summenformel
- C7H4F3NO
- Molmasse
- 175.11
Namen und Synonyme
386704-12-76-(Trifluoromethyl)pyridine-3-carboxaldehydeDTXSID90380641RefChem:306993DTXCID80331667627-410-86-(Trifluoromethyl)nicotinaldehyde6-(trifluoromethyl)pyridine-3-carbaldehyde2-(trifluoromethyl)pyridine-5-carboxaldehydeMFCD018626475-formyl-2-(trifluoromethyl)pyridine6-Trifluoromethyl-pyridine-3-carbaldehyde
Weitere Namen anzeigen
6-trifluoromethyl nicotinic aldehyde6-Trifluoromethylpyridine-3-aldehyde6-(Trifluoromethyl)nicotinaldehyde 97%6-(Trifluoromethyl)pyrdine-3-carbaldehyde2-(trifluoromethyl)pyridine-5-carbaldehyde6-(Trifluoromethyl)-pyridin-3-carbaldehyde
6-(Trifluoromethyl)-3-pyridinecarboxaldehyde6-trifluoromethyl nicotinaldehyde6-trifluormethylpyridine-3-carbaldehydeBP-13321SY0028066-(trifluoromethyl)-3-pyridinecarbaldehydeEN300-14402553-pyridinecarboxaldehyde, 6-(trifluoromethyl)-
Datenbank-Bezeichner
- CAS
386704-12-7- PubChem CID
- 2777762
- DTXSID
DTXSID90380641- EC Number
- 627-410-8
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 30 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 169
Physikochemische Eigenschaften
- Schmelzpunkt
- 52 · 52-56 °C
- Siedepunkt
- 72 °C · 72 °C
- Dichte
- 1.369 · 1.369±0.06 g/cm3(Predicted)
- Flammpunkt
- 93 °C · 93 °C
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- soluble in Methanol
- pka
- -1.25 · -1.25±0.22(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Almost white
- InChI
- InChI=1S/C7H4F3NO/c8-7(9,10)6-2-1-5(4-12)3-11-6/h1-4H
- InChIKey
- MRPAGRCGPAXOGS-UHFFFAOYSA-N
- SMILES
- C1=NC(C(F)(F)F)=CC=C1C=O
- CAS Datenbank
- 386704 · 386704-12-7(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (94.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 71 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. 3 (94.4%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 2933399990
- risk_code
- 36/37/38-43-25
- hazard_code
- Xi,T
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-36/37-28
- hazard_class
- 6.1
- packing_group
- Ⅲ
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
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