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CAS

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112212-94-9

2-Cyanotetrahydrothiophene, with the molecular formula C6H9NS, is a clear, colorless liquid characterized by a sulfur-like odor. It is a heterocyclic compound belonging to the thiophene family, which features a five-membered ring composed of four carbon atoms and one sulfur atom. 2-Cyanotetrahydrothiophene is recognized for its unique chemical properties, making it a valuable building block in the synthesis of various organic compounds. Its synthesis demands specific reagents and reaction conditions, highlighting its significance in the chemical industry.

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  • 112212-94-9 Structure

  • Basic information

    1. Product Name: 2-Cyanotetrahydrothiophene
    2. Synonyms: 2-Cyanotetrahydrothiophene;tetrahydrothiophene-2-carbonitrile;2-((3-chloropropyl)thio)propanenitrile;2-Tetrahydrothiophenecarbonitrile
    3. CAS NO:112212-94-9
    4. Molecular Formula: C5H7NS
    5. Molecular Weight: 113.18
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 112212-94-9.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 110-115℃ (15 Torr)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.12±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: 2-Cyanotetrahydrothiophene(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2-Cyanotetrahydrothiophene(112212-94-9)
    11. EPA Substance Registry System: 2-Cyanotetrahydrothiophene(112212-94-9)

  • 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: 112212-94-9(Hazardous Substances Data)

112212-94-9 Usage

Uses

Used in Pharmaceutical Industry:
2-Cyanotetrahydrothiophene is utilized as an intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of new drugs. Its unique structure allows for the creation of molecules with potential therapeutic properties, enhancing the range of treatments available for various medical conditions.
Used in Agrochemical Industry:
In the agrochemical sector, 2-Cyanotetrahydrothiophene serves as a key component in the production of pesticides and other agricultural chemicals. Its incorporation into these products can improve their effectiveness in protecting crops from pests and diseases, thereby contributing to increased agricultural productivity.
Used in Materials Science:
2-Cyanotetrahydrothiophene also finds potential applications in the field of materials science. Its unique chemical properties make it suitable for the development of new materials with specific characteristics, such as improved conductivity or enhanced stability. This versatility positions 2-Cyanotetrahydrothiophene as a promising compound for advancing material technologies.
Overall, 2-Cyanotetrahydrothiophene is an important chemical compound with diverse applications across different industries, including pharmaceuticals, agrochemicals, and materials science. Its unique properties and role as a building block in the synthesis of various organic compounds underscore its value and potential for future innovations.

Check Digit Verification of cas no

The CAS Registry Mumber 112212-94-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,2,2,1 and 2 respectively; the second part has 2 digits, 9 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 112212-94:
(8*1)+(7*1)+(6*2)+(5*2)+(4*1)+(3*2)+(2*9)+(1*4)=69
69 % 10 = 9
So 112212-94-9 is a valid CAS Registry Number.

112212-94-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name Tetrahydrothiophene-2-carbonitrile

1.2 Other means of identification

Product number -
Other names thiolane-2-carbonitrile

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:112212-94-9 SDS

112212-94-9Relevant articles and documents

C(sp3)?H Cyanation Promoted by Visible-Light Photoredox/Phosphate Hybrid Catalysis

Wakaki, Takayuki,Sakai, Kentaro,Enomoto, Takafumi,Kondo, Mio,Masaoka, Shigeyuki,Oisaki, Kounosuke,Kanai, Motomu

, p. 8051 - 8055 (2018)

Inspired by the reaction mechanism of photo-induced DNA cleavage in nature, a C(sp3)?H cyanation reaction promoted by visible-light photoredox/phosphate hybrid catalysis was developed. Phosphate radicals, generated by one-electron photooxidation of phosphate salt, functioned as a hydrogen-atom-transfer catalyst to produce nucleophilic carbon radicals from C(sp3)?H bonds with a high bond-dissociation energy. The resulting carbon radicals were trapped by a cyano radical source (TsCN) to produce the C?H cyanation products. Due to the high functional-group tolerance and versatility of the cyano group, the reaction will be useful for realizing streamlined building block syntheses and late-stage functionalization of drug-like molecules.

Direct C(sp3)-H Cyanation Enabled by a Highly Active Decatungstate Photocatalyst

Kim, Kunsoon,Lee, Seulchan,Hong, Soon Hyeok

supporting information, p. 5501 - 5505 (2021/07/26)

A highly efficient, direct C(sp3)-H cyanation was developed under mild photocatalytic conditions. The method enabled the direct cyanation of various C(sp3)-H substrates with excellent functional group tolerance. Notably, complex natural products and bioactive compounds were efficiently cyanated.

Spiro Derivatives of Tetrahydrothiophene. Synthesis of the Quinolizidinetetrahydrothiophene System Using Solid/Liquid or Liquid/Liquid Phase-Transfer Catalysis

Wrobel, Jerzy T.,Hejchman, Elzbieta

, p. 452 - 455 (2007/10/02)

4-Oxooctahydroquinolizinetetrahydrothiophene 1',1'-dioxide can be synthetized from 2-cyanotetrahydrothiophene by two independent routes, both of them using phase-transfer catalysis: the first one involves alkylation of 2-cyanotetrahydrothiphen

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