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ChemicalBook--->CAS DataBase List--->931-54-4

931-54-4

931-54-4 Structure

931-54-4 Structure
IdentificationBack Directory
[Name]

ISOCYANOBENZENE
[CAS]

931-54-4
[Synonyms]

ISOCYANOBENZENE
Benzoisonitrile
PHENYLISOCYANIDE
Phenyl isonitrile
1-ISOCYANOBENZENE
Phenyl carbylamine
Benzene, isocyano-
PHENYL ISOCYANIDE (1-ISOCYANOBENZENE)
[EINECS(EC#)]

213-239-2
[Molecular Formula]

C7H5N
[MDL Number]

MFCD05148520
[MOL File]

931-54-4.mol
[Molecular Weight]

103.12
Chemical PropertiesBack Directory
[Boiling point ]

183.35°C (rough estimate)
[density ]

1.0248 (rough estimate)
[refractive index ]

1.6760 (estimate)
[solubility ]

Chloroform (Soluble), Methanol (Slightly)
[form ]

Oil to Thick Oil
[color ]

Very Dark Red to Black
Questions And Answer(Q&A)Back Directory
[Preparation]

To a flask containing 7.9 gm (0.33 mole) of sodium hydride in 100 ml of tetrahydrofuran is slowly added a mixture of 9.3 gm (0.1 mole) of aniline and 25.3 gm (0.10 mole) of bromoform. After the addition, the reaction is stirred for 1-2 hr at room temperature, and water is added (100 ml) dropwise. Ether (200 ml) is added and the ether layer washed four times with 50-ml portions of water, three times with 20-ml portions of dilute hydrochloric acid, and then with water. The resulting ether layer is dried over sodium sulfate, concentrated, and the residue distilled to afford 4.7 gm (45%), b.p. 52-53°C (13 mm Hg).
Preparation of Phenyl Isonitrile
Safety DataBack Directory
[Risk Statements ]

20/21/22
[Safety Statements ]

26-36/37/39
[RIDADR ]

UN 1672 6.1/ PGI
[HazardClass ]

6.1
[PackingGroup ]

I
Hazard InformationBack Directory
[Uses]

Isocyanobenzene is used in the study of the inhibition mechanism of reconstituted cytochrome p-450scc-linked monooxygenase system by antimycotic reagent and other inhibitors.
[Definition]

ChEBI: Phenyl isocyanide is an isocyanide.
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