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931-53-3

931-53-3 Structure

931-53-3 Structure
IdentificationMore
[Name]

CYCLOHEXYL ISOCYANIDE
[CAS]

931-53-3
[Synonyms]

BIO-FARMA BF001328
CYCLOHEXYL ISOCYANIDE
CYCLOHEXYL ISONITRILE
HANSA ISN-0519
ISOCYANOCYCLOHEXANE
Cyclohexane, isocyano-
Cyclohexaneisonitrile
Cyclohexyl #niso-cyanide
Cyclohexane, isocyano-(9CI)
[EINECS(EC#)]

213-238-7
[Molecular Formula]

C7H11N
[MDL Number]

MFCD00003839
[Molecular Weight]

109.17
[MOL File]

931-53-3.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[Melting point ]

6.45°C
[Boiling point ]

173-176 °C
[density ]

0.878 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.45(lit.)
[Fp ]

170 °F
[storage temp. ]

2-8°C
[form ]

Liquid
[color ]

Clear colorless to slightly brown
[Stability:]

Stable. Incompatible with strong acids, strong bases, strong reducing agents, strong oxidizing agents. Flammable.
[BRN ]

3662332
[CAS DataBase Reference]

931-53-3(CAS DataBase Reference)
Questions And Answer(Q&A)Back Directory
[Preparation]

CAUTION: Use a well-ventilated hood and take all precautions before using phosgene.
To a flask equipped as in Preparation 3-1 is added 1.27 kg (10.0 moles) of N-cyclohexylformamide, 3.20 liters of triethylamine, and 4.50 liters of methylene chloride. The solution is stirred while phosgene is rapidly added (300-400 gm/hr) to cause vigorous refluxing. Refluxing ceases after 1.04 kg (10.2 moles) of phosgene have been added and the addition is stopped. The reaction mixture is cooled to 22-25°C, 400 gm (23.5 moles) of ammonia gas added over a period of 1-2 hr, the mixture filtered then concentrated under reduced pressure, and the residue distilled to afford 955 gm (88%), b.p. 67-72°C (14 mm Hg).
Preparation of Cyclohexyl Isonitrile
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
[RIDADR ]

UN 2810 6.1/PG 2
[WGK Germany ]

3
[F ]

10-13-21
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29299090
Hazard InformationBack Directory
[Chemical Properties]

colourless liquid
[Uses]

Cyclohexyl Isocyanide can be used as novel arginase inhibitors to treat diseases.
[Definition]

ChEBI: Cyclohexyl isocyanide is an isocyanide having a cyclohexyl group attached to nitrogen. It is a conjugate base of a cyclohexyl isocyanide(1+).
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

CYCLOHEXYL ISOCYANIDE(931-53-3)1HNMR
CYCLOHEXYL ISOCYANIDE(931-53-3)FT-IR
CYCLOHEXYL ISOCYANIDE(931-53-3)Raman
CYCLOHEXYL ISOCYANIDE(931-53-3)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Cyclohexyl isocyanide, 99%(931-53-3)
[Sigma Aldrich]

931-53-3(sigmaaldrich)
[TCI AMERICA]

Cyclohexyl Isocyanide,>98.0%(GC)(931-53-3)
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