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TRANS-CYCLOBUTANE-1,2-DICARBONITRILE, also known as Bicyclo[2.2.0]butane-1,2-dicarbonitrile, is a complex chemical compound characterized by its stability and reactivity in organic synthesis. With a chemical formula of C6H6N2 and a molecular weight of 106.124 g/mol, this pale yellow crystalline solid exhibits a pungent odor at room temperature. Chemically stable under standard conditions, it is flammable and may decompose when exposed to heat or ignition sources. Although not extensively studied, it is advised to handle TRANS-CYCLOBUTANE-1,2-DICARBONITRILE with care due to potential toxicity.

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  • 3211-20-9 Structure
  • Basic information

    1. Product Name: TRANS-CYCLOBUTANE-1,2-DICARBONITRILE
    2. Synonyms: 1,2-Cyclobutanedicarbonitrile;1,2-Cyclobutanedicarbonitrile, (E)-;trans-2-cyclobutanedicarbonitrile;USAF st-1;usafst-1;TRANS-1,2-DICYANOCYCLOBUTANE;TRANS-1,2-CYCLOBUTANEDICARBONITRILE;TRANS-CYCLOBUTANE-1,2-DICARBONITRILE
    3. CAS NO:3211-20-9
    4. Molecular Formula: C6H6N2
    5. Molecular Weight: 106.13
    6. EINECS: 221-722-4
    7. Product Categories: Aromatic Nitriles
    8. Mol File: 3211-20-9.mol
  • Chemical Properties

    1. Melting Point: 32-37 °C
    2. Boiling Point: 292.1°Cat760mmHg
    3. Flash Point: 150.5°C
    4. Appearance: /
    5. Density: 1.08g/cm3
    6. Vapor Pressure: 0.00187mmHg at 25°C
    7. Refractive Index: 1.475
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: TRANS-CYCLOBUTANE-1,2-DICARBONITRILE(CAS DataBase Reference)
    11. NIST Chemistry Reference: TRANS-CYCLOBUTANE-1,2-DICARBONITRILE(3211-20-9)
    12. EPA Substance Registry System: TRANS-CYCLOBUTANE-1,2-DICARBONITRILE(3211-20-9)
  • Safety Data

    1. Hazard Codes: Xn
    2. Statements: 20/21/22-36/37/38
    3. Safety Statements: 26-36/37
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 3211-20-9(Hazardous Substances Data)

3211-20-9 Usage

Uses

Used in Organic Synthesis:
TRANS-CYCLOBUTANE-1,2-DICARBONITRILE is utilized as a key intermediate in various organic synthesis processes for its stability and reactivity. It serves as a building block for the creation of more complex organic molecules, contributing to the development of new pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Chemical Research:
In the field of chemical research, TRANS-CYCLOBUTANE-1,2-DICARBONITRILE is employed as a subject of study to explore its properties, reactivity, and potential applications. Researchers investigate its behavior under different conditions and interactions with other compounds to expand the understanding of its role in chemical reactions and synthesis.
Used in Pharmaceutical Industry:
TRANS-CYCLOBUTANE-1,2-DICARBONITRILE is used as a precursor in the synthesis of pharmaceutical compounds. Its unique structure and reactivity make it a valuable component in the development of new drugs with specific therapeutic properties.
Used in Agrochemical Industry:
In the agrochemical industry, TRANS-CYCLOBUTANE-1,2-DICARBONITRILE is utilized as a starting material for the synthesis of agrochemicals, such as pesticides and herbicides. Its contribution to the development of effective and environmentally friendly products is crucial for agricultural productivity and sustainability.
Used in Specialty Chemicals Production:
TRANS-CYCLOBUTANE-1,2-DICARBONITRILE is employed as a raw material in the production of specialty chemicals, which are used in various industries such as plastics, coatings, and adhesives. Its unique properties allow for the creation of high-performance materials with specific characteristics tailored to the needs of these industries.

Check Digit Verification of cas no

The CAS Registry Mumber 3211-20-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,2,1 and 1 respectively; the second part has 2 digits, 2 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 3211-20:
(6*3)+(5*2)+(4*1)+(3*1)+(2*2)+(1*0)=39
39 % 10 = 9
So 3211-20-9 is a valid CAS Registry Number.
InChI:InChI=1/C6H6N2/c7-3-5-1-2-6(5)4-8/h5-6H,1-2H2/t5-,6+

3211-20-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,2-Cyclobutanedicarbonitrile,(1R,2R)-rel-

1.2 Other means of identification

Product number -
Other names 1,2-Cyclobutanedicarbonitrile

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:3211-20-9 SDS

3211-20-9Relevant articles and documents

Novel synthesis method of lobaplatin intermediate

-

, (2021/09/22)

The invention relates to the technical field of drug synthesis, in particular to a novel synthesis method of a loxetine intermediate, which is coupled through low-toxicity dimethyl malonate as a starting raw material. The synthesis of high purity trans -1, 2 - dicyanocyclobutane is carried out after the reaction of bromination, cyclization, hydrolysis, amidation and dehydration. In addition, the yield of the product is greatly improved, so that the cost is greatly reduced, the obtained trans -1 and 2 -dicyanocyclobutane are improved in purity, the subsequent use requirements are completely met, and the market competitiveness is greatly improved.

STEREOSPECIFIC PHOTODIMERIZATION OF UNSATURATED COMPOUNDS INDUCED BY NICKEL COMPLEXES

Miyashita, Akira,Ikezu, Shohgo,Nohira, Hiroyuki

, p. 1235 - 1238 (2007/10/02)

Irradiation of (ethylene)bis(triphenylphosphine)nickel (1) or bis(triphenylphosphine)nickelacyclopentane induced stereospecific cyclodimerization of substituted olefins such as acrylonitrile and methylacrylate affording trans-1,2-disubstituted cyclobutanes, while 1,7-octadiene was converted to trans-bicyclooctane.Ethylene was photochemically dimerized to cyclo- and linear dimers induced by 1.

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