3,3-Difluoropyrrolidine hydrochloride

HCID 24903482

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 163457-23-6
Standard-SMILES: Cl.FC1(F)CCNC1
InChIKey: YYVPZQADFREIFR-UHFFFAOYSA-N
Summenformel: C4H8ClF2N
Durchschnittliche Molmasse: 143,56 g/mol
Monoisotopische Masse: 143,0313333

Namen und Bezeichner

Bevorzugter Name: 3,3-Difluoropyrrolidine hydrochloride
IUPAC: 3,3-difluoropyrrolidine;hydrochloride
Englischer Name: 3,3-Difluoropyrrolidine hydrochloride
Summenformel: C4H7F2N.ClH
Molmasse: 143.56

Namen und Synonyme

3,3-Difluoropyrrolidine hydrochlorideRefChem:485384626-850-8163457-23-63,3-Difluoropyrrolidine HClMFCD037889483,3-difluoropyrrolidine;hydrochloridePyrrolidine, 3,3-difluoro-, hydrochloride (1:1)3,3-difluoropyrrolidinehydrochloride3,3-difluoro-pyrrolidine hydrochloride3,3-difluoropyrrolidin-1-ium;chloride3,3-difluoropyrrolidine, chloride

Weitere Namen anzeigen

GOSO-0053,3-DifLuoropyrroLidine hydrochL3,3-Difluoropyrrolidine h...1-Aza-3,3-difluorocyclopentane3,3-DifluoropyrrolidineHydrochloride>3,3-Difl uoropyrrol [dine hydrochloride

3,3-DIFLUORO-PYRROLIDINE HCLPYRROLIDINE, 3,3-DIFLUORO-, HYDROCHLORIDE3,3-difluoropyrolidine HClSCHEMBL324555orb2939280DTXSID006479393,3-difluoropyrrolidinium chloride3,3-difluoropyrrolidin hydrochloride

Datenbank-Bezeichner

CAS: 163457-23-6
PubChem CID: 24903482
DTXSID: DTXSID00647939
EC Number: 626-850-8

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 72

Physikochemische Eigenschaften

Schmelzpunkt: 128 · 128-130°C
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: solid
Farbe: White to off white
InChI: InChI=1S/C4H7F2N.ClH/c5-4(6)1-2-7-3-4;/h7H,1-3H2;1H
InChIKey: YYVPZQADFREIFR-UHFFFAOYSA-N
SMILES: N1CCC(F)(F)C1.[H]Cl
CAS Datenbank: 163457 · 163457-23-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): 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 48 reports by companies from 8 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

Sicherheitsdaten

wgk: 3
hs_code: 29339900
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39
hazard_class: IRRITANT, HYGROSCOPIC
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3,3-Difluoropyrrolidine hydrochloride can be used as a building block in the synthesis of: Triazole substituted prolyl difluoropyrrolidines as potential inhibitors of dipeptidyl peptidase-4. Dual leucine zipper kinase (DLK) inhibitors.It can be also used as a reactant in the preparation of cyclic and acyclic β-aminofluoroalkenes via allylic amination using the Pd catalyst.