Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Tetrabutylammonium thiocyanate |
EINECS | 222-943-9 |
CAS No. | 3674-54-2 | Density | g/cm3 |
PSA | 23.79000 | LogP | 5.01798 |
Solubility | N/A | Melting Point |
120-123oC |
Formula | C16H36N.CNS | Boiling Point | °Cat760mmHg |
Molecular Weight | 300.552 | Flash Point | °C |
Transport Information | N/A | Appearance | N/A |
Safety | 3919896 | Risk Codes | R20/21/22;R32 |
Molecular Structure | Hazard Symbols | ||
Synonyms |
Tetrabutylammonium rhodanide;TetrabutylaMMoniuM Thiocyanate;tetrabutylazanium,thiocyanate; |
Article Data | 7 |
Molecule structure of Tetrabutylammonium thiocyanate (CAS NO.3674-54-2):
IUPAC Name: Tetrabutylazanium thiocyanate
Molecular Weight: 300.54614 [g/mol]
Molecular Formula: C17H36N2S
H-Bond Acceptor: 2
Rotatable Bond Count: 12
Exact Mass: 300.25992
MonoIsotopic Mass: 300.25992
Topological Polar Surface Area: 23.8
Heavy Atom Count: 20
Complexity: 147
Melting Point: 120-123 °C(lit.)
Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCC.C(#N)[S-]
InChI: InChI=1S/C16H36N.CHNS/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1-3/h5-16H2,1-4H3;3H/q+1;/p-1
InChIKey: RSHBFZCIFFBTEW-UHFFFAOYSA-M
EINECS: 222-943-9
Product Categories of Tetrabutylammonium thiocyanate (CAS NO.3674-54-2): Ammonium Polyhalides, etc. (Quaternary); Quaternary Ammonium Compounds
Hazard Codes: Xn
Risk Statements: 20/21/22-32
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R32:Contact with acid liberates very toxic gas.
Safety Statements: 13
S13:Keep away from food, drink and animal foodstuffs.
WGK Germany: 3
F: 10-21
Tetrabutylammonium thiocyanate (CAS NO.3674-54-2) is also named as N,N,N-tributylbutan-1-aminium thiocyanate ; Tetrabutylammonium rhodanide ; Tetra-N-butylammonium thiocyanate .