Tetrabutylammoniumcyanid
Tetrabutylammonium Cyanide
Grundinformationen
- CAS
10442-39-4- 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 Ų
- 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
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
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.
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