Tetrabutylammoniumcyanid

Tetrabutylammonium Cyanide

HCID 165872CAS 10442-39-4

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Grundinformationen

Standard-SMILES: CCCC[N+](CCCC)(CCCC)CCCC.[C-]#N
InChIKey: KRRBFUJMQBDDPR-UHFFFAOYSA-N
Summenformel: C17H36N2
Durchschnittliche Molmasse: 268,5 g/mol
Monoisotopische Masse: 268,28784915

Namen und Bezeichner

Bevorzugter Name: Tetrabutylammonium Cyanide
IUPAC: tetrabutylazanium cyanide
Lokaler Name: Tetrabutylammoniumcyanid
Englischer Name: Tetrabutylammonium cyanide
Summenformel: C17H36N2
Molmasse: 268.48

Namen und Synonyme

Tetrabutylammonium cyanide10442-39-4DTXSID9065077RefChem:188408DTXCID9032878233-926-0tetrabutyl ammonium cyanidetetrabutylazanium;cyanide1-Butanaminium, N,N,N-tributyl-, cyanidetetra-n-butylammonium cyanideMFCD00043221EINECS 233-926-0

Weitere Namen anzeigen

Tetrabutylaminium·cyanidetrabutylammonium cyanidetetrabutylazanium:cyanideTetrabutylaMMoniuM cyanide 95%Tetrabutylammonium cyanide (7CI)n,n,n-tributyl-1-butanaminiucyanideN,N,N-Tributyl-1-butanaminium cyanide (1:1)Tetrabutylammonium cyanide technical, >=80%

n,n,n-tributylbutan-1-aminium cyanidetetrabutylammoniumcyanidetetrabutlyammonium cyanidetetrabutylammonium;cyanidetetra n-butylammonium cyanideSCHEMBL140587tetra-n-butyl ammonium cyanideCHEMBL1078151

Datenbank-Bezeichner

CAS: 10442-39-4
PubChem CID: 165872
DTXSID: DTXSID9065077
ChEMBL: CHEMBL1078151
EC Number: 233-926-0

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 23,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 12
Schwere Atome: 19
Formalladung: 0
Komplexität: 126

Experimentelle und physikochemische Eigenschaften

Chemical ClassesToxic Gases & Vapors -> Cyanides

Physical DescriptionSlightly beige crystalline solid; Soluble in water; [MSDSonline]

Physikochemische Eigenschaften

Schmelzpunkt: 89 · 89-92 °C(lit.)
storage temp.: 2 · Storage temp. 2-8°C
Löslichkeit: Methanol (Slightly), Water (Slightly)
Aggregatzustand: Solid
Farbe: Pale Yellow to Pale Beige
BRN: 3598808 · 3598808
Stabilität: Hygroscopic
InChI: InChI=1S/C16H36N.CN/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2/h5-16H2,1-4H3;/q+1;-1
InChIKey: KRRBFUJMQBDDPR-UHFFFAOYSA-N
SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.N#[C-]
EPA chemische Informationen: 1 · 1-Butanaminium, N,N,N-tributyl-, cyanide (10442-39-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]

P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information1-Butanaminium, N,N,N-tributyl-, cyanide: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; Readily absorbed through skin; Targets CNS, blood, lungs, thyroid, and cardiovascular system; May cause cyanosis and CNS depression; [MSDSonline] See CYANIDES.

Hazard Classes and CategoriesAcute Tox. 2 (100%)

Sicherheit und Schutzausrüstung

Exposure Control and Personal Protection2.0 [mg/m3], inhalable fraction, as CN[German Research Foundation (DFG)]

Permissible Exposure Limit (PEL)5.0 [mg/m3], as CN

Immediately Dangerous to Life or Health (IDLH)25.0 [mg/m3], as CN

Toxikologische Informationen

Adverse EffectsOther Poison - Chemical Asphyxiant

Sicherheitsdaten

F: 3-10
wgk: 3
tsca: TSCA listed
ridadr: UN 2811 6.1/PG 2
risk_code: 26/27/28-32-50/53
hazard_code: T+,N
safety_code: 7-28-29-45-60-61
hazard_class: 6.1(b)
packing_group: III
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Acute Tox. 1 DermalAcute Tox. 2 InhalationAcute Tox. 2 OralAquatic Acute 1Aquatic Chronic 1

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 1 Eintrag

Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties.

Verwendung und Herstellung

General Manufacturing Information1-Butanaminium, N,N,N-tributyl-, cyanide (1:1): ACTIVE

Anwendungen

VerwendenTetrabutylammonium cyanide is commonly used as a catalyst for the synthesis of organic compounds such as multisubstituted dihydrofurans and pyrrolo[2,1-a]isoquinolines.