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Key Documents

133280

Sigma-Aldrich

Butyl isocyanide

97%

Synonym(s):

1-Butylisonitrile, 1-Isocyanobutane, Butyl isonitrile, n-Butyl isocyanide, n-Butyl isonitrile

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About This Item

Linear Formula:
CH3(CH2)3NC
CAS Number:
Molecular Weight:
83.13
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

97%

form

liquid

refractive index

n20/D 1.396 (lit.)

density

0.795 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

CCCC[N+]#[C-]

InChI

1S/C5H9N/c1-3-4-5-6-2/h3-5H2,1H3

InChI key

FSBLVBBRXSCOKU-UHFFFAOYSA-N

Related Categories

Application

Butyl isocyanide was used to study the crystal structure of carbon monoxide dehydrogenases-II isolated from Carboxydothermus hydrogenoformans. It was used to probe the mechanism of NO activation of the hemoprotein soluble guanylate cyclase. .

Biochem/physiol Actions

Butyl isocyanide forms complex with ferric and ferrous iron of the heme in cytochrome P450.

Other Notes

May form haziness and/or precipitate with no loss in purity.

Pictograms

FlameExclamation mark

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral - Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

69.8 °F - closed cup

Flash Point(C)

21 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Y Imai et al.
Biochimica et biophysica acta, 1337(1), 66-74 (1997-01-04)
Heme-external ligand interactions of P-450nor were examined spectrophotometrically and compared with those of other P-450s. Most nitrogenous ligands induced type II spectral changes on binding to ferric P-450nor, as did other P-450s. In contrast with other P-450s, 2-methylpyridine and 1-butanol
Akira Ikezaki et al.
Chemical communications (Cambridge, England), (19)(19), 2257-2259 (2008-05-09)
Addition of tert-butylisocyanide (tBuNC) to a CD2Cl2 solution of the bis(perchlorato)(meso-tetramesitylporphyrinato) iron(III) cation radical leads to the formation of the corresponding bis(adduct), [Fe(TMP)(tBuNC)2]2+, whose electronic structure is in sharp contrast to that of the corresponding imidazole(HIm) complex, [Fe(TMP)(HIm)2]2+; the former
D Barrick et al.
Biochemistry, 40(13), 3780-3795 (2001-04-13)
The linkage between the proximal histidines and the proximal polypeptide in normal adult human hemoglobin (Hb A) has been proposed to play a major role in transmitting allosteric effects between oxygen binding sites [Perutz, M. F. (1970) Nature 228, 726-734].
C Mouro et al.
European journal of biochemistry, 267(1), 216-221 (1999-12-22)
An 1H-NMR study of ferric cytochrome P450cam in different paramagnetic states was performed. Assignment of three heme methyl resonances of the isocyanide adduct of cytochrome P450 in the ferric low-spin state was recently performed using electron exchange in the presence
D S Lee et al.
Biochemistry, 40(9), 2669-2677 (2001-03-22)
Alkyl-isocyanides are able to bind to both ferric and ferrous iron of the heme in cytochrome P450, and the resulting complexes exhibit characteristic optical absorption spectra. While the ferric complex gives a single Soret band at 430 nm, the ferrous

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