3,3-Difluoropiperidine hydrochloride

HCID 2758349

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 496807-97-7
Standard-SMILES: Cl.FC1(F)CCCNC1
InChIKey: LEHHIPIDKQVNEV-UHFFFAOYSA-N
Summenformel: C5H10ClF2N
Durchschnittliche Molmasse: 157,59 g/mol
Monoisotopische Masse: 157,0469833

Namen und Bezeichner

Bevorzugter Name: 3,3-Difluoropiperidine hydrochloride
IUPAC: 3,3-difluoropiperidine;hydrochloride
Englischer Name: 3,3-Difluoropiperidine hydrochloride
Summenformel: C5H10ClF2N
Molmasse: 157.59

Namen und Synonyme

3,3-Difluoropiperidine hydrochloride496807-97-7DTXSID50374288RefChem:270290DTXCID30325319624-735-73,3-difluoropiperidine;hydrochlorideMFCD034528003,3-DIFLUOROPIPERIDINE HCLPiperidine, 3,3-difluoro-, hydrochloride3,3-difluoropiperidine-HCl3,3-difluoro-piperidine HCl

Weitere Namen anzeigen

uoropiperidine hydrochL3,3-difluoropiperidin-1-ium3,3-Difluoropiperidine hy...3,3-difluoropiperidineHCLSalt3-difluoropiperidine hydrochloride3,3-Difluoropiperidine hydrochlorideE3,3-Difluoropiperidine hydrochloride 97%3,3-Difluoropiperidine Hydrochloride(WX604285)

SCHEMBL2303713,3-difluoropiperidinehydrochlorideSBB0872323,3-difluoro-Piperidine hydrochlorideAKOS005146250CS-W001579LF-0528PB23351

Datenbank-Bezeichner

CAS: 496807-97-7
PubChem CID: 2758349
DTXSID: DTXSID50374288
EC Number: 624-735-7

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 82

Physikochemische Eigenschaften

Schmelzpunkt: 243 · 243-247 °C
storage temp.: 2 · 2-8°C
Aggregatzustand: powder to crystal
Farbe: White to Orange to Green
InChI: InChI=1S/C5H9F2N.ClH/c6-5(7)2-1-3-8-4-5;/h8H,1-4H2;1H
InChIKey: LEHHIPIDKQVNEV-UHFFFAOYSA-N
SMILES: FC1(CNCCC1)F.Cl
CAS Datenbank: 496807 · 496807-97-7(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.