Butylpyridinium chloride

HCID 2734171

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Grundinformationen

CAS: 1124-64-7
Standard-SMILES: CCCC[n+]1ccccc1.[Cl-]
InChIKey: POKOASTYJWUQJG-UHFFFAOYSA-M
Summenformel: C9H14ClN
Durchschnittliche Molmasse: 171,67 g/mol
Monoisotopische Masse: 171,08147713

Namen und Bezeichner

Bevorzugter Name: Butylpyridinium chloride
IUPAC: 1-butylpyridin-1-ium chloride
Englischer Name: 1-Butylpyridinium chloride
Summenformel: C9H14ClN
Molmasse: 171.67

Namen und Synonyme

1-Butylpyridinium Chloride1124-64-7n-Butylpyridinium chlorideButylpyridinium chlorideDTXSID1031462F8M63J351ADTXCID9011462RefChem:829445620-019-31-butylpyridin-1-ium chlorideMFCD000600471-butylpyridin-1-ium;chloride

Weitere Namen anzeigen

[BPY]ClN-butyl pyridine chloride1-N-BUTYLPYRIDINIUM CHLORIDE1-ButylpyridiniumChloride>N-N-BUTYLPYRIDINIUM CHLORIDEN-BUTYL-PYRIDINIUM CHLORIDE 25 G

CAS-1124-64-71-butylpyridiniumchlorideBPCLbutylpyridine, chlorideEC 620-019-3SCHEMBL222581UNII-F8M63J351ACHEMBL3188155

Datenbank-Bezeichner

CAS: 1124-64-7
PubChem CID: 2734171
DTXSID: DTXSID1031462
ChEMBL: CHEMBL3188155
UNII: F8M63J351A
EC Number: 620-019-3

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 3,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 74,8

Physikochemische Eigenschaften

Schmelzpunkt: 162 °C · 162 °C
Dampfdruck: 0.000022 hPa · 0.000022 hPa (20 °C)
storage temp.: 30 °C · Store below +30°C.
Aggregatzustand: Crystalline
Farbe: White to Almost white
PH: 7 · 7 (H2O, 20℃)
Wasserlöslichkeit: Soluble in water.
InChI: InChI=1S/C9H14N.ClH/c1-2-3-7-10-8-5-4-6-9-10;/h4-6,8-9H,2-3,7H2,1H3;1H/q+1;/p-1
InChIKey: POKOASTYJWUQJG-UHFFFAOYSA-M
SMILES: [N+]1(CCCC)C=CC=CC=1.[Cl-]
CAS Datenbank: 1124 · 1124-64-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 2.3% (1 of 44) of reports.

Warning

H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Cease Manufacture Update: 28-03-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/1624

Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)

Sicherheitsdaten

wgk: WGK 3 highly water endangering
tsca: TSCA listed
hs_code: 29333990
risk_code: 36/37/38-36/38
hazard_code: Xi
safety_code: 37/39-26-24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPyridinium, 1-butyl-, chloride (1:1): ACTIVE

Anwendungen · 1 Eintrag

VerwendenThe derivatives of 1-n-Butylpyridinium chloride is used in spent fuel reprocessing, particularly in the extraction of high-level radioactive aqueous waste from the processing of nuclear fuel. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.