ChemicalBook--->CAS DataBase List--->10442-39-4

10442-39-4

10442-39-4 Structure

10442-39-4 Structure
IdentificationBack Directory
[Name]

TETRABUTYLAMMONIUM CYANIDE
[CAS]

10442-39-4
[Synonyms]

Tetrabutylaminium·cyanide
tetrabutylazanium:cyanide
TETRABUTYLAMMONIUM CYANIDE
TetrabutylaMMoniuM cyanide 95%
n,n,n-tributyl-1-butanaminiucyanide
1-Butanaminium, N,N,N-tributyl-, cyanide
Tetrabutylammonium cyanide technical, >=80%
N,N,N-Tributyl-1-butanaminium cyanide (1:1)
TETRABUTYLAMMONIUM CYANIDE ISO 9001:2015 REACH
[EINECS(EC#)]

233-926-0
[Molecular Formula]

C17H36N2
[MDL Number]

MFCD00043221
[MOL File]

10442-39-4.mol
[Molecular Weight]

268.48
Chemical PropertiesBack Directory
[Melting point ]

89-92 °C(lit.)
[storage temp. ]

Storage temp. 2-8°C
[solubility ]

Methanol (Slightly), Water (Slightly)
[form ]

Solid
[color ]

Pale Yellow to Pale Beige
[BRN ]

3598808
[Stability:]

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 Substance Registry System]

1-Butanaminium, N,N,N-tributyl-, cyanide (10442-39-4)
Safety DataBack Directory
[Hazard Codes ]

T+,N
[Risk Statements ]

26/27/28-32-50/53
[Safety Statements ]

7-28-29-45-60-61
[RIDADR ]

UN 2811 6.1/PG 2
[WGK Germany ]

3
[F ]

3-10
[TSCA ]

TSCA listed
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[Storage Class]

6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
[Hazard Classifications]

Acute Tox. 1 Dermal
Acute Tox. 2 Inhalation
Acute Tox. 2 Oral
Aquatic Acute 1
Aquatic Chronic 1
Hazard InformationBack Directory
[Uses]

Tetrabutylammonium cyanide (TBACN) can be used as a source of cyanide ion for colorimetric studies.
It can be employed as a reactant in the preparation of:
  • Tetrabutylammonium fluoride (TBAF), which can be used to remove silyl ether protecting groups.
  • Rhenium-based single-chain magnets, (DMF)4MReCl4(CN)2 (M = Mn, Fe, Co, Ni).
  • Phosphorescent blue light-emitting anionic iridium complexes.

[Uses]

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

In a flask of 2 L capacity equipped with a stirring device and a dropping funnel, 200 ml of dichloromethane, 67.6 g (200 mmol) of tetrabutylammonium sulfoxide were added and stirred, to which 4 M of was added. NaOH aqueous solution 50 ml and stirred. Pr
Spectrum DetailBack Directory
[Spectrum Detail]

TETRABUTYLAMMONIUM CYANIDE(10442-39-4)1HNMR
TETRABUTYLAMMONIUM CYANIDE(10442-39-4)IR
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