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931-54-4

Basic Information
CAS No.: 931-54-4
Name: ISOCYANOBENZENE
Article Data: 149
Molecular Structure:
Molecular Structure of 931-54-4 (ISOCYANOBENZENE)
Formula: C7H5N
Molecular Weight: 103.123
Synonyms: Phenylisocyanide;
EINECS: 213-239-2
Density: 1.0248 (rough estimate)
Boiling Point: 183.35°C (rough estimate)
Risk Codes: 20/21/22
Safety: 26-36/37/39
PSA: 0.00000
LogP: 1.46810
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  • 931-54-4

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    931-54-4

    931-54-4

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    Supply top quality products with a reasonable price Application:api

    Hebei Ruishun Trade Co.,Ltd registered capital one million, we have a production of pharmaceutical raw materials, pharmaceutical raw materials factory reagent r&d center, we do

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  • 1-Isocyanobenzene

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    931-54-4

    1-Isocyanobenzene

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    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four yearsOur key scientific leadership team has gained experience in top research and developmen

    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four years Our key scienti

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  • Benzene, isocyano-

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    931-54-4

    Benzene, isocyano-

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    Benzene, isocyano-Appearance:Off white to slight yellow solid Storage:Stored in shaded, cool and dry places Package:1L 5L 10L 25L bottle Application:pharma intermediate Transportation:Handle with cares to avoid damaging the packages. Protect them fro

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  • Benzene, isocyano-

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    Benzene, isocyano-

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    Risk Statements : 20/21/22 Safety Statements : 26-36/37/39

    Priaton provides compounds, services and technologies for drug discovery. An innovative combination of a chemotechnological and a chemoinformatic platform enables a great accelerat

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Specification

The Benzene, isocyano-, with the CAS registry number 931-54-4, is also known as Phenylisocyanide. Its EINECS registry number is 213-239-2. This chemical's molecular formula is C7H5N and molecular weight is 103.12. What's more, both its IUPAC name and systematic name are the same which is called Isocyanobenzene.

Physical properties about Benzene, isocyano- are: (1)#H bond acceptors: 1; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 0; (4)Polar Surface Area: 4.36 Å2.

Preparation of Benzene, isocyano-: this chemical can be prepared by N-Phenyl-formamide.

Benzene, isocyano-  can be prepared by N-Phenyl-formamide

This reaction needs reagents N-Methylmorpholine, Diphosgene and solvent CH2Cl2 at temperature of -30 °C. The reaction time is 1 hour. The yield is 74%.

Uses of Benzene, isocyano-: it is used to produce other chemicals. For example, it is used to produce 1-Phenyl-1H-tetrazole.

Benzene, isocyano- is used to produce 1-Phenyl-1H-tetrazole

The reaction occurs with reagent Trimethylsilyl azide, HCl, MeOH and solvent Diethyl ether at temperature of 60 °C. The reaction time is 5 hours. The yield is 67%.

When you are dealing with this chemical, you should be very careful. This chemical is harmful by inhalation, in contact with skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: [C-]#[N+]c1ccccc1
(2) InChI: InChI=1/C7H5N/c1-8-7-5-3-2-4-6-7/h2-6H
(3) InChIKey: RCIBIGQXGCBBCT-UHFFFAOYAZ