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CAS

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33522-04-2

Cyclooctyl isothiocyanate, with the molecular formula C9H15NS, is a colorless liquid characterized by a pungent odor. It is a versatile chemical compound used in various organic synthesis processes, particularly for the preparation of thioureas and isothiocyanates. Additionally, it serves as a reagent for the modification of proteins and peptides, making it a valuable component in scientific research and chemical industries.

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  • 33522-04-2 Structure

  • Basic information

    1. Product Name: CYCLOOCTYL ISOTHIOCYANATE
    2. Synonyms: CYCLOOCTYL ISOTHIOCYANATE;Cyclooctyl isothiocyate, 98%
    3. CAS NO:33522-04-2
    4. Molecular Formula: C9H15NS
    5. Molecular Weight: 169.29
    6. EINECS: -0
    7. Product Categories: N/A
    8. Mol File: 33522-04-2.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 160 °C
    3. Flash Point: 160°C/22mm
    4. Appearance: /
    5. Density: 1,01 g/cm3
    6. Vapor Pressure: 0.0139mmHg at 25°C
    7. Refractive Index: 1.5440
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. Sensitive: Moisture Sensitive
    11. BRN: 2638956
    12. CAS DataBase Reference: CYCLOOCTYL ISOTHIOCYANATE(CAS DataBase Reference)
    13. NIST Chemistry Reference: CYCLOOCTYL ISOTHIOCYANATE(33522-04-2)
    14. EPA Substance Registry System: CYCLOOCTYL ISOTHIOCYANATE(33522-04-2)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: 20/21/22-36/37/38
    3. Safety Statements: 26-36/37/39
    4. RIDADR: 2810
    5. WGK Germany:
    6. RTECS:
    7. HazardClass: 6.1
    8. PackingGroup: II
    9. Hazardous Substances Data: 33522-04-2(Hazardous Substances Data)

33522-04-2 Usage

Uses

Used in Organic Synthesis:
Cyclooctyl isothiocyanate is used as a key intermediate in the synthesis of thioureas and isothiocyanates, which are important building blocks in the creation of various organic compounds and materials.
Used in Protein and Peptide Modification:
In the field of biochemistry, Cyclooctyl isothiocyanate is utilized as a reagent for the modification of proteins and peptides. This application is crucial for studying protein functions, interactions, and structural properties.
Used in Research and Development:
Due to its reactivity and unique chemical properties, Cyclooctyl isothiocyanate is employed in research and development for exploring new chemical reactions and discovering novel compounds with potential applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 33522-04-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,3,5,2 and 2 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 33522-04:
(7*3)+(6*3)+(5*5)+(4*2)+(3*2)+(2*0)+(1*4)=82
82 % 10 = 2
So 33522-04-2 is a valid CAS Registry Number.
InChI:InChI=1/C9H15NS/c11-8-10-9-6-4-2-1-3-5-7-9/h9H,1-7H2

33522-04-2 Well-known Company Product Price

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  • Detail

  • Alfa Aesar

  • (L13002)  Cyclooctyl isothiocyanate, 97%   

  • 33522-04-2

  • 1g

  • 798.0CNY

  • Detail

  • Alfa Aesar

  • (L13002)  Cyclooctyl isothiocyanate, 97%   

  • 33522-04-2

  • 5g

  • 2840.0CNY

  • Detail

33522-04-2SDS

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 isothiocyanatocyclooctane

1.2 Other means of identification

Product number -
Other names Cyclooctane,isothiocyanato

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:33522-04-2 SDS

33522-04-2Downstream Products

33522-04-2Relevant articles and documents

Domino synthesis of novel series of 4-substituted 5-thioxo-1,2,4- triazolidin-3-one derivatives

Ghorbani-Choghamarani, Arash,Sardari, Sara

, p. 1078 - 1081 (2013/08/23)

The efficient synthesis of 4-substituted 5-thioxo-1,2,4-triazolidin-3-one derivatives (4-substituted thiourazoles) via domino combination of thiophosgene, aliphatic or aromatic amines, and ethyl carbazate is presented.

The Functionalization of Saturated Hydrocarbons. Part 26. Ionic Substitution Reactions in GoAggIV Chemistry: The Construction of C-N, C-S and C-C Bonds

Barton, Derek H. R.,Warinthorn, Chavasiri

, p. 47 - 60 (2007/10/02)

Utilization of the GoAggIV system in the presence of sodium azide, sodium nitrite, sodium thiocyanate, sodium disulfide and tetraethylammonium cyanide converts saturated hydrocarbons into the corresponding alkyl azides, nitroalkanes, alkyl thiocyanates, dialkyl disulfides and alkyl cyanides, respectively.Mechanistic studies suggest an Fe-centered ligand coupling reaction pathway.Key Words: Gif systems; Selective functionalization, Iron catalysts, C-N bond formation, C-S bond formation, C-C bond formation

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