Tetrabutylammonium Thiocyanate

• CAS: 3674-54-2
• Catalog Number: ACM3674542
• Category: Other Products
• Molecular Weight: 300.55
• Molecular Formula: C17H36N2S
• Synonyms: Tetrabutylammonium Rhodanide
• IUPAC Name: tetrabutylazanium;thiocyanate
• 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
• InChI Key: RSHBFZCIFFBTEW-UHFFFAOYSA-M
• Melting Point: 123 °C
• Solubility: soluble in Methanol
• Appearance: White to Light yellow powder to crystal
• Storage: Store under inert gas
• Complexity: 147
• Condition To Avoid: Hygroscopic
• Covalently-Bonded Unit Count: 2
• EC Number: 222-943-9
• Exact Mass: 300.26g/mol
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 2
• Heavy Atom Count: 20
• MDL Number: MFCD00012140
• Monoisotopic Mass: 300.26g/mol
• Precautionary Statements: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• Rotatable Bond Count: 12
• Signal Word: Warning
• Topological Polar Surface Area: 24.8A^2

Synthetic Use

Downstream Synthesis Route 1

• 74844-91-0
• 3674-54-2

• 1229669-56-0
• 1229669-54-8
• 203866-16-4

Reference: [1] Patent: US2011/251403, 2011, A1, . Location in patent: Page/Page column 12

Downstream Synthesis Route 2

• 3674-54-2
• 106-40-1

• 15864-32-1

Reference: [1] Journal of Organic Chemistry, 2003, vol. 68, # 22, p. 8693 - 8696

Downstream Synthesis Route 3

• 673-32-5
• 3674-54-2

• 106941-83-7
• 97040-49-8
• 97040-49-8
• 97040-54-5

Reference: [1]Giffard, Michel; Cousseau, Jack; Gouin, Lucien; Crahe, Marie-Renee
[Tetrahedron, 1985, vol. 41, # 4, p. 801 - 810]

Downstream Synthesis Route 4

• 503-17-3
• 3674-54-2

• 53615-05-7
• 97632-41-2

Reference: [1]Giffard, Michel; Cousseau, Jack; Gouin, Lucien; Crahe, Marie-Renee
[Tetrahedron, 1985, vol. 41, # 4, p. 801 - 810]

Downstream Synthesis Route 5

• 917-92-0
• 3674-54-2

• 97040-47-6
• 97040-52-3

Reference: [1]Giffard, Michel; Cousseau, Jack; Gouin, Lucien; Crahe, Marie-Renee
[Tetrahedron, 1985, vol. 41, # 4, p. 801 - 810]

* For details of the synthesis route, please refer to the original source to ensure accuracy.