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4-Phenylcyclohexenylisocyanide, with the molecular formula C13H13N, is a chemical compound characterized by its yellow to brown liquid appearance and a strong, pungent odor. It is a versatile chemical intermediate utilized in various industrial applications, including the production of pharmaceuticals, agrochemicals, and specialty chemicals. Additionally, it serves as a reagent in organic synthesis, particularly for the preparation of heterocyclic compounds. Due to its flammable nature and potential hazards upon contact, it requires careful handling in a controlled laboratory environment.

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  • 128798-39-0 Structure
  • Basic information

    1. Product Name: 4-PHENYLCYCLOHEXENYLISOCYANIDE
    2. Synonyms: (4-ISOCYANO-CYCLOHEX-3-ENYL)-BENZENE;4-PHENYLCYCLOHEXENYLISOCYANIDE;(4-PHENYLCYCLOHEX-1-ENYL)ISOCYANIDE
    3. CAS NO:128798-39-0
    4. Molecular Formula: C13H13N
    5. Molecular Weight: 183.25
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 128798-39-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 4-PHENYLCYCLOHEXENYLISOCYANIDE(CAS DataBase Reference)
    10. NIST Chemistry Reference: 4-PHENYLCYCLOHEXENYLISOCYANIDE(128798-39-0)
    11. EPA Substance Registry System: 4-PHENYLCYCLOHEXENYLISOCYANIDE(128798-39-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 128798-39-0(Hazardous Substances Data)

128798-39-0 Usage

Uses

Used in Pharmaceutical Industry:
4-Phenylcyclohexenylisocyanide is used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its unique structure and reactivity contribute to the development of new drugs with specific therapeutic properties.
Used in Agrochemical Industry:
In the agrochemical sector, 4-Phenylcyclohexenylisocyanide serves as a key intermediate in the production of pesticides and other crop protection agents, enhancing their effectiveness and selectivity in controlling pests and diseases.
Used in Specialty Chemicals Industry:
4-Phenylcyclohexenylisocyanide is utilized as a building block in the synthesis of specialty chemicals, which are high-value products with unique properties and applications in various industries, such as coatings, adhesives, and polymers.
Used as a Reagent in Organic Synthesis:
4-Phenylcyclohexenylisocyanide is employed as a reagent in the preparation of heterocyclic compounds, which are important in the development of pharmaceuticals, agrochemicals, and other organic compounds with diverse applications.
Safety Precautions:
Due to its flammable nature and potential hazards upon contact, 4-Phenylcyclohexenylisocyanide should be handled with caution in a controlled laboratory setting to minimize risks of fire, inhalation, or skin absorption. Proper safety measures, such as wearing protective gear and using appropriate containment systems, are essential to ensure the safety of personnel and the environment.

Check Digit Verification of cas no

The CAS Registry Mumber 128798-39-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,8,7,9 and 8 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 128798-39:
(8*1)+(7*2)+(6*8)+(5*7)+(4*9)+(3*8)+(2*3)+(1*9)=180
180 % 10 = 0
So 128798-39-0 is a valid CAS Registry Number.

128798-39-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name (4-isocyanocyclohex-3-en-1-yl)benzene

1.2 Other means of identification

Product number -
Other names 4-Phenylcyclohex-1-enyl isocyanide

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:128798-39-0 SDS

128798-39-0Downstream Products

128798-39-0Relevant articles and documents

OXYTOCIN INHIBITORS

-

Page 99, (2010/02/06)

This invention relates to compounds of formula (I).

Vinyl isonitriles in radical cascade reactions: Formation of cyclopenta-fused pyridines and pyrazines

Lenoir, Isabelle,Smith, Marie L.

, p. 641 - 643 (2007/10/03)

The formation of cyclopenta-fused pyridines and pyrazines were studied by using radical cascade reactions. The intramolecular addition to an aryl or vinyl isonitrile combined with intramolecular trapping of the intermediate imidoyl radical was also investigated for the synthesis of biologically active natural products. It was shown that the vinyl isonitriles were required substrates in 4 + 1 radical annulations with iodoalkynes and iodonitriles for the formation of cyclopenta-fused pyridines and pyrazines respectively.

Multicomponent synthesis of novel amino acid-nucleobase chimeras: aA versatile approach to PNA-monomers

Maison, Wolfgang,Schlemminger, Imre,Westerhoff, Ole,Martens, Juergen

, p. 1343 - 1360 (2007/10/03)

This paper describes a multicomponent approach to novel totally protected precursors of PNA-monomers via Ugi 4CC. The obtained bisamides are converted into several partially protected PNA-monomers or derivatives thereof using three different procedures. Methods for hydrolysis are shown to be dependent on the nature of the isocyano component required for Ugi 4CC. Several novel monomers suitable for oligomer synthesis are prepared demonstrating the high versatility of the reaction sequence. Copyright (C) 2000 Elsevier Science Ltd.

The Preparation of Epoxy Isonitriles (Isocyanooxiranes)

Baldwin, J. E.,ONeil, I. A.

, p. 2047 - 2050 (2007/10/02)

The preparation of epoxy isonitriles from vinyl formaides using an epoxidation/ dehydration sequence is described.

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