2(1H)-Pyridinone, 3-(trifluoromethyl)-

HCID 3678411CAS 22245-83-6
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
O=c1[nH]cccc1C(F)(F)F
InChIKey
JHDCDEHVUADNKQ-UHFFFAOYSA-N
Summenformel
C6H4F3NO
Durchschnittliche Molmasse
163,1 g/mol
Monoisotopische Masse
163,02449824

Namen und Bezeichner

Bevorzugter Name
2(1H)-Pyridinone, 3-(trifluoromethyl)-
IUPAC
3-(trifluoromethyl)-1H-pyridin-2-one
Englischer Name
2-Hydroxy-3-trifluoromethylpyridine
Summenformel
C6H4F3NO
Molmasse
163.1

Namen und Synonyme

3-(trifluoromethyl)pyridin-2-ol2(1H)-PYRIDINONE, 3-(TRIFLUOROMETHYL)-RefChem:439776671-273-7948-667-522245-83-62-Hydroxy-3-Trifluoromethylpyridine2-Hydroxy-3-(trifluoromethyl)pyridine3-(trifluoromethyl)-1H-pyridin-2-one2-Hydroxy-3-Trifluoromethyl Pyridine3-(Trifluoromethyl)-2-pyridone3-(Trifluoromethyl)pyridin-2(1H)-one
Weitere Namen anzeigen
3-Trifluoromethyl-pyridin-2-olBUTTPARK 24\01-662-Hydroxy-3-(trifL2-Hydroxy-3-trifluorHydroxy-3-trifluoromethyl2-Hydroxy-3-trifluoromethyl3-trifluoroMethyl-2-pyridinol3-(Trifluoromethyl)pyridin-2-one
MFCD001531943-(TRIFLUOROMETHYL)-2(1H)-PYRIDINONEFD2043CS-W002444DS-0797FS-11282-hydroxy-3-(trifluoromethyl)-pyridineAC-20524

Datenbank-Bezeichner

CAS
22245-83-6
PubChem CID
3678411
DTXSID
DTXSID80394934
UNII
2L4XZF8FMB
EC Number
671-273-7、948-667-5
Nikkaji
J1.900.513E、J3.791.080E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,1
Polarare Oberfläche (TPSA)
29,1 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
0
Schwere Atome
11

Physikochemische Eigenschaften

Schmelzpunkt
150 · 150-153°C
Siedepunkt
223.7 · 223.7±40.0 °C(Predicted)
Dichte
1.398 · 1.398±0.06 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
Aggregatzustand
powder to crystal
pka
9.67 · 9.67±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Commission Regulation No 844/2012

Status: Cease Manufacture Update: 06-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30477

Hazard Classes and Categories · 2 Einträge

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (66.7%)

Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Commission Regulation No 844/2012

Status: Cease Manufacture Update: 06-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30477

Sicherheitsdaten

ridadr
UN2811
hs_code
29333990
risk_code
36/37/38-65-20/21/22-20/21-36-25
hazard_code
Xi,Xn,T
safety_code
26-36/37/39-36-45
hazard_class
IRRITANT

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Anwendungen · 2 Einträge

Beschreibung2-hydroxy-3-(trifluoromethyl)pyridine (or 3-(Trifluoromethyl)-2-pyridone) is a trifluoromethyl substituted 2-hydroxypyridine. It is used as a synthesis intermediate for ligands and bioactive ingredients in the application of drug discovery and catalytic reactions. In catalytic reactions, the amide group of 2-pyridone binds to transition metals, forming stable 5-/6-membered ring intermediates. Hence, 2-hydroxy-3-(trifluoromethyl)pyridine is widely used as a ligand in catalytic reactions such as directed C-H activation on meta-position. In addition, the trifluoromethyl substituent of 3-(trifluoromethyl)-2-pyridone tunes its metal-binding affinity and limits the reaction site for improving regioselectivity.

Verwenden2-Hydroxy-3-trifluoromethylpyridine is a reactant in the synthesis of Pyrido[2,3-b]pyrazine, a TRPV1 antagonist .

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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