4-Cyanopiperidine

HCID 138223CAS 4395-98-6

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: N#CC1CCNCC1
InChIKey: FSDNTQSJGHSJBG-UHFFFAOYSA-N
Summenformel: C6H10N2
Durchschnittliche Molmasse: 110,16 g/mol
Monoisotopische Masse: 110,08439832

Namen und Bezeichner

Bevorzugter Name: 4-Cyanopiperidine
IUPAC: piperidine-4-carbonitrile
Englischer Name: 4-Cyanopiperidine
Summenformel: C6H10N2
Molmasse: 110.16

Namen und Synonyme

4-Cyanopiperidine4395-98-6DTXSID70196000RefChem:522258DTXCID40118491700-005-4piperidine-4-carbonitrile4-PiperidinecarbonitrileMFCD05022468Isonipecotonitrile4-cyanopiperdine4-cyanopyperidine

Weitere Namen anzeigen

sonipecotonitrileCHEMBRDG-BB 4009819Piperidine-4-carboni5-AMINOPHTHALONITRILE4-CYANOPIPERIDINE >98%Piperidin-4-carbonitrile

4-cyano-piperidine(4-cyano)piperidinepiperidine-4-cabonitrile4-piperidine-carbonitriledipropyleneglycoldiTMM2LR8B86SCHEMBL102903SCHEMBL375581

Datenbank-Bezeichner

CAS: 4395-98-6
PubChem CID: 138223
DTXSID: DTXSID70196000
UNII: TMM2LR8B86
EC Number: 700-005-4
Nikkaji: J1.531.904F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0
Polarare Oberfläche (TPSA): 35,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 105

Physikochemische Eigenschaften

Schmelzpunkt: 0 °C · 0°C
Siedepunkt: 0 °C · 0°C
Dichte: 0.987 g/mL · 0.987 g/mL at 25 °C
Brechungsindex: 1.4755 · 1.4755
Flammpunkt: 0 °C · 0°C
storage temp.: 2 · 2-8°C
Löslichkeit: Soluble in chloroform.
Aggregatzustand: Liquid
pka: 9.26 · 9.26±0.10(Predicted)
Farbe: Colorless to pale yellow
InChI: InChI=1S/C6H10N2/c7-5-6-1-3-8-4-2-6/h6,8H,1-4H2
InChIKey: FSDNTQSJGHSJBG-UHFFFAOYSA-N
SMILES: N1CCC(C#N)CC1
CAS Datenbank: 4395 · 4395-98-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (93.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (93.9%)

Sicherheitsdaten

wgk: 3
ridadr: 3276
hs_code: 29333990
risk_code: 20/21/22-36/37/38-41-22
hazard_code: Xi,Xn
hazard_note: Harmful
safety_code: 26-36/37/39-36-39
hazard_class: 6.1
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1

Chemie und Industrie

Anwendungen

Verwenden4-Cyanopiperidine is used as an intermediate for the preparation of pharmaceutical substances like antidepressants and anti-inflammatory. It is used as a precursor for the synthesis of piperidine derivatives.