Grundinformationen
- Standard-SMILES
FC(F)(F)c1cccnc1- InChIKey
JTZSFNHHVULOGJ-UHFFFAOYSA-N- Summenformel
- C6H4F3N
- Durchschnittliche Molmasse
- 147,1 g/mol
- Monoisotopische Masse
- 147,02958379
Namen und Bezeichner
- Bevorzugter Name
- 3-(Trifluoromethyl)pyridine
- IUPAC
- 3-(trifluoromethyl)pyridine
- Lokaler Name
- 3-(Trifluormethyl)pyridin
- Englischer Name
- 3-Trifluoromethylpyridine
- Summenformel
- C6H4F3N
- Molmasse
- 147.1
Namen und Synonyme
3-(Trifluoromethyl)pyridine3796-23-43-TrifluoromethylpyridinePyridine, 3-(trifluoromethyl)-625H9FC8CEDTXSID10191397RefChem:954963-FMPDTXCID20113888223-268-2MFCD001000323-Trifluoromethyl-pyridine
Weitere Namen anzeigen
3-TP3-TFAKOS BBS-00001545à,à,à-trifluoro-3-picoline3- trifloro methyl pyridine3-(Trifluoromethyl)pyridine97%3-(Trifluoromethyl)pyridine 97%alpha,alpha,alpha-Trifluoro-3-picoline
M-TRIFLUOROMETHYLPYRIDINEEINECS 223-268-23-(CF3)-pyridine5-trifluoromethylpyridineUNII-625H9FC8CESCHEMBL13577SCHEMBL285853-(trifluoromethyl)-pyridine
Datenbank-Bezeichner
- CAS
3796-23-4- PubChem CID
- 77417
- DTXSID
DTXSID10191397- UNII
- 625H9FC8CE
- EC Number
- 223-268-2
- Nikkaji
- J62.504C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 12,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 110
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesChemical shift
Physikochemische Eigenschaften
- Siedepunkt
- 113 · 113-115 °C (lit.)
- Dichte
- 1.276 g/mL · 1.276 g/mL at 25 °C
- Brechungsindex
- 20 · n20/D 1.418
- Flammpunkt
- 74 °F · 74 °F
- storage temp.
- Inert atmosphere,Room Temperature
- Aggregatzustand
- clear liquid
- pka
- 2.8 · 2.80±0.10(Predicted)
- Farbe
- Colorless to Light yellow
- BRN
- 1563102 · 1563102
- InChI
- InChI=1S/C6H4F3N/c7-6(8,9)5-2-1-3-10-4-5/h1-4H
- InChIKey
- JTZSFNHHVULOGJ-UHFFFAOYSA-N
- SMILES
- C1=NC=CC=C1C(F)(F)F
- CAS Datenbank
- 3796 · 3796-23-4(CAS DataBase Reference)
- NIST chemische Informationen
- 3 · 3-(CF3)-pyridine(3796-23-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225 (10.4%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesFlam. Liq. 2 (10.4%)
Sicherheitsdaten
- wgk
- 2
- ridadr
- UN 1992 3/PG 3
- hs_code
- 2933399990
- risk_code
- 10-25-36/37/38-11
- hazard_code
- T,Xi,F
- hazard_note
- Irritant
- safety_code
- 26-45-37-36
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 2 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden3-(Trifluoromethyl)pyridine is a reagent used to improve amyloid detection in the brain during MRI.
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