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3674-54-2

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Basic Information
CAS No.: 3674-54-2
Name: Tetrabutylammonium thiocyanate
Article Data: 7
Molecular Structure:
Molecular Structure of 3674-54-2 (Tetrabutylammonium thiocyanate)
Formula: C16H36N.CNS
Molecular Weight: 300.552
Synonyms: Tetrabutylammonium rhodanide;TetrabutylaMMoniuM Thiocyanate;tetrabutylazanium,thiocyanate;
EINECS: 222-943-9
Density: g/cm3
Melting Point: 120-123oC
Boiling Point: °Cat760mmHg
Flash Point: °C
Hazard Symbols:
Risk Codes: R20/21/22;R32   
Safety: 3919896
PSA: 23.79000
LogP: 5.01798
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Chemistry

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

Safety Profile

Hazard Codes: HarmfulXn
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

Specification

 Tetrabutylammonium thiocyanate (CAS NO.3674-54-2) is also named as N,N,N-tributylbutan-1-aminium thiocyanate ; Tetrabutylammonium rhodanide ; Tetra-N-butylammonium thiocyanate .