133302

Cyclohexyl isocyanide

98%

• Synonym(s): Isocyanocyclohexane
• Linear Formula: C₆H₁₁NC
• CAS Number: 931-53-3
• Molecular Weight: 109.17
• Beilstein/REAXYS Number: 3662332
• EC Number: 213-238-7
• MDL number: MFCD00003839
• UNSPSC Code: 12352100
• PubChem Substance ID: 24848099
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 98%
• form: liquid
• refractive index: n20/D 1.45 (lit.)
• density: 0.878 g/mL at 25 °C (lit.)
• storage temp.: 2-8°C
• SMILES string: [C-]#[N+]C1CCCCC1
• InChI: 1S/C7H11N/c1-8-7-5-3-2-4-6-7/h7H,2-6H2
• InChI key: XYZMOVWWVXBHDP-UHFFFAOYSA-N

Description

General description

Cyclohexyl isocyanide reacts with dimethyl acetylenedicarboxylate to give a mixture of cyclopenta[b]pyridine derivatives, azaspirononatriene derivative and the azabicyclononatriene. It reacts with dialkyl acetylenedicarboxylates to form 1:1 intermediate which on facile addition to 1-benzylisatin and tryptantrin yields highly functionalized novel unsaturated γ-spiroiminolactones.

Application

• Isocyanide in coordination chemistry: The study on mixed "2 + 1" tricarbonyl dithiocarbamate complexes highlights Cyclohexyl isocyanide′s role as an effective monodentate ligand, contributing to advancements in radiopharmaceutical applications using Re, Tc, and Re isotopes (Shegani et al., 2021).
• Organic synthesis reagent in vascular treatments: The article discusses the use of Cyclohexyl isocyanide in modifying the endocannabinoid system, emphasizing its potential in developing treatments for conditions like hypertension through biochemical pathway modulation (Baranowska-Kuczko et al., 2021).
• Chemical process optimization in dye decolorization: Cyclohexyl isocyanide plays a crucial role in the covalent immobilization of enzymes used for the decolorization of textile dyes, demonstrating its utility in environmental chemistry and industrial applications related to pollution control (Salami et al., 2018).
• Application in nanocellulose modification: Demonstrates the versatility of Cyclohexyl isocyanide in nanotechnology by facilitating the covalent attachment of temperature-responsive polymers to cellulose nanofibrils, enhancing the material′s properties for use in smart textiles and responsive materials (Khine et al., 2018).

Safety Information

• pictograms: GHS06
• signalword: Danger
• hcodes: H301 + H311 + H331
• pcodes: P261 - P264 - P280 - P301 + P310 - P302 + P352 + P312 - P304 + P340 + P311
• Hazard Classifications: Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3
• flash_point_f: 170.6 °F - closed cup
• flash_point_c: 77 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter