Piperazin-1-carbaldehyd

1-Piperazinecarboxaldehyde

HCID 82191CAS 7755-92-2

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Grundinformationen

Standard-SMILES: O=CN1CCNCC1
InChIKey: MSSDTZLYNMFTKN-UHFFFAOYSA-N
Summenformel: C5H10N2O
Durchschnittliche Molmasse: 114,15 g/mol
Monoisotopische Masse: 114,07931294

Überblick

1-piperazinecarboxaldehyde is a member of the class of piperazine-1-carbaldehydes that is piperazine substituted by a formyl group at position 1.

Namen und Bezeichner

Bevorzugter Name: 1-Piperazinecarboxaldehyde
IUPAC: piperazine-1-carbaldehyde
Lokaler Name: Piperazin-1-carbaldehyd
Englischer Name: 1-Piperazinecarbaldehyde
Summenformel: C5H10N2O
Molmasse: 114.15

Namen und Synonyme

1-Formylpiperazine7755-92-21-PiperazinecarboxaldehydeDTXSID1064790EINECS 231-813-0NSC 511082RefChem:77020DTXCID8047977MSSDTZLYNMFTKN-UHFFFAOYSA-NPiperazine-1-carbaldehyde1-PiperazinecarbaldehydeFormylpiperazine

Weitere Namen anzeigen

1-FormylpiperazinN-FORMY PIPERAZINE1-Formylpiperazine>LABOTEST-BB LT002331971-Formylpiperazine,98%

N-FormylpiperazinePiperazine-1-carboxaldehydel-formylpiperazinepiperazin-1-yl-methanoneMFCD000059631-Piperazinecarbaldehyde #piperazinecarbaldehydeF0194

Datenbank-Bezeichner

CAS: 7755-92-2
PubChem CID: 82191
DTXSID: DTXSID1064790
ChEBI: CHEBI:151031
EC Number: 231-813-0
Nikkaji: J254B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,9
Polarare Oberfläche (TPSA): 32,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 78,5

Physikochemische Eigenschaften

Schmelzpunkt: 88 · 88-91
Siedepunkt: 264 · 264-266 °C
Dichte: 1.107 g/mL · 1.107 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.512
Flammpunkt: 215 °F · 215 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: Liquid
pka: 8.58 · 8.58±0.10(Predicted)
Wichte: 1.107 · 1.107
Farbe: Clear colorless to yellow
BRN: 110295 · 110295
InChI: 1S/C5H10N2O/c8-5-7-3-1-6-2-4-7/h5-6H,1-4H2
InChIKey: MSSDTZLYNMFTKN-UHFFFAOYSA-N
SMILES: [H]C(=O)N1CCNCC1
CAS Datenbank: 7755 · 7755-92-2(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1-Piperazinecarboxaldehyde(7755-92-2)
EPA chemische Informationen: 1 · 1-Piperazinecarboxaldehyde (7755-92-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 2.1% (1 of 48) of reports.

Danger

H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, 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 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (87.5%)

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
hs_code: 29335990
risk_code: 22-37/38-41-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1-Piperazinecarboxaldehyde: ACTIVE

Anwendungen

Verwenden1-Formylpiperazine is sutable for use as a test compound in the kinetic study of the reaction of 4-nitrophenyl 2-thiophenecarboxylate with secondary alicyclic amines.