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2-(NAPHTHALEN-2-YL)OXIRANE, also known as 2-Naphthyl epoxide, is a chemical compound characterized by the molecular formula C12H8O. It is a colorless, viscous liquid that serves as a crucial intermediate in the production of various products, including plastics, dyes, and pharmaceuticals. Despite its utility, it is recognized for its mutagenic and carcinogenic properties, which pose significant risks to human health and the environment, necessitating stringent safety measures during its handling and application.

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  • 20861-99-8 Structure
  • Basic information

    1. Product Name: 2-(NAPHTHALEN-2-YL)OXIRANE
    2. Synonyms: 2-(NAPHTHALEN-2-YL)OXIRANE;UKRORGSYN-BB BBV-019526
    3. CAS NO:20861-99-8
    4. Molecular Formula: C12H10O
    5. Molecular Weight: 170.21
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 20861-99-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 317.3°C at 760 mmHg
    3. Flash Point: 140.9°C
    4. Appearance: /
    5. Density: 1.193g/cm3
    6. Vapor Pressure: 0.000721mmHg at 25°C
    7. Refractive Index: 1.667
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 2-(NAPHTHALEN-2-YL)OXIRANE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-(NAPHTHALEN-2-YL)OXIRANE(20861-99-8)
    12. EPA Substance Registry System: 2-(NAPHTHALEN-2-YL)OXIRANE(20861-99-8)
  • 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: 20861-99-8(Hazardous Substances Data)

20861-99-8 Usage

Uses

Used in Chemical Synthesis:
2-(NAPHTHALEN-2-YL)OXIRANE is used as an intermediate in the synthesis of other chemicals for various applications. Its unique structure allows it to be a versatile building block in the creation of complex organic compounds.
Used in Plastics Industry:
In the plastics industry, 2-(NAPHTHALEN-2-YL)OXIRANE is used as a component in the production process to enhance certain properties of the final plastic products, such as durability and resistance to environmental factors.
Used in Dyes Industry:
2-(NAPHTHALEN-2-YL)OXIRANE is utilized as a key constituent in the formulation of dyes, contributing to the colorfastness and vibrancy of the dyes in various applications, including textiles and printing inks.
Used in Pharmaceutical Industry:
Within the pharmaceutical sector, 2-(NAPHTHALEN-2-YL)OXIRANE is employed as a precursor in the development of new drugs, potentially leading to advancements in medicinal chemistry and therapeutics.
However, due to its mutagenic and carcinogenic properties, it is imperative that 2-(NAPHTHALEN-2-YL)OXIRANE is handled with care, using appropriate safety equipment and protocols to minimize exposure and environmental impact.

Check Digit Verification of cas no

The CAS Registry Mumber 20861-99-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,0,8,6 and 1 respectively; the second part has 2 digits, 9 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 20861-99:
(7*2)+(6*0)+(5*8)+(4*6)+(3*1)+(2*9)+(1*9)=108
108 % 10 = 8
So 20861-99-8 is a valid CAS Registry Number.
InChI:InChI=1/C12H10O/c1-2-4-10-7-11(12-8-13-12)6-5-9(10)3-1/h1-7,12H,8H2

20861-99-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-naphthalen-2-yloxirane

1.2 Other means of identification

Product number -
Other names 2-vinylnaphthalene oxide

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:20861-99-8 SDS

20861-99-8Relevant articles and documents

Chiral guanidine catalyzed acylative kinetic resolution of racemic 2-bromo-1-arylethanols

Sawada, Erika,Nakata, Kenya

supporting information, p. 371 - 373 (2021/03/16)

In this study, chiral guanidine catalyzed acylative kinetic resolution of racemic 2-bromo-1-arylethanols was achieved with high selectivity. Irrespective of the electronic nature and the substitution patterns on the aromatic rings, a variety of substrates were suitable for this reaction. The branched acyl component was considered to be optimal for obtaining high s-values. The transition state of the reaction was proposed based on the absolute configuration of the obtained product.

Radical-mediated aerobic oxidation of substituted styrenes and stilbenes

Aman, Hasil,Chiu, Wei-Hua,Chuang, Gary Jing,Liu, Pin-Heng

supporting information, p. 20103 - 20106 (2021/12/02)

A 2,2-azobis(isobutyronitrile)-catalyzed oxidative cleavage of alkenes with molecular oxygen as the oxidant was described. Carbonyl compounds and oxiranes were obtained in moderate yield under mild conditions. This study provided useful insights into the mechanism of aerobic oxidative cleavage of alkenes.

Copper based coordination polymers based on metalloligands: Utilization as heterogeneous oxidation catalysts

Kumar, Gulshan,Hussain, Firasat,Gupta, Rajeev

, p. 16985 - 16994 (2019/01/03)

This work presents the synthesis and characterization of two Cu(ii)-based coordination polymers prepared by utilizing two different Co(iii)-based metalloligands offering appended arylcarboxylic acid groups. Both coordination polymers are three-dimensional in nature and present pores and channels filled with water molecules. Both coordination polymers function as heterogeneous catalysts for the epoxidation of various olefins using O2 while employing isobutyraldehyde as the coreductor and for peroxide-mediated oxidation of assorted benzyl alcohols. The catalytic results illustrate efficient oxidation reactions, whereas the hot-fltration test and leaching experiments indicate the true heterogeneous nature of the catalysis.

A Copper-Based Metal-Organic Framework Acts as a Bifunctional Catalyst for the Homocoupling of Arylboronic Acids and Epoxidation of Olefins

Parshamoni, Srinivasulu,Telangae, Jyothi,Sanda, Suresh,Konar, Sanjit

, p. 540 - 547 (2016/03/12)

A copper(I)-based metal-organic framework ({[Cu2Br2(pypz)]na.nH2O} (Cu-Br-MOF) [pypz=bis[3,5-dimethyl-4-(4'-pyridyl)pyrazol-1-yl] methane] has been synthesized by using an elongated and flexible bridging ligand. The structure analysis reveals that each pypz ligand acts as a tritopic ligand connected to two Cu2Br2 dimeric units, forming a one-dimensional zig-zag chain, and these chains further connected by a Cu2Br2 unit, give a two-dimensional framework on the bc-plane. In the Cu2Br2 dimeric unit, the copper ions are four coordinated, thereby possessing a tetrahedral geometry; this proves to be an excellent heterogeneous catalyst for the aerobic homocoupling of arylboronic acids under mild reaction conditions. This method requires only 3 mol % of catalyst and it does not require any base or oxidant-compared to other conventional (Cu, Pd, Fe, and Au) catalysts-for the transformation of arylboronic acids in very good yields (98 %). The shape and size selectivity of the catalyst in the homocoupling was investigated. The use of the catalyst was further extended to the epoxidation of olefins. Moreover, the catalyst can be easily separated by simple filtration and reused efficiently up to 5 cycles without major loss of reactivity.

Manganese- and cobalt-based coordination networks as promising heterogeneous catalysts for olefin epoxidation reactions

Kumar, Girijesh,Kumar, Gulshan,Gupta, Rajeev

, p. 2603 - 2615 (2015/03/30)

We demonstrate the synthesis of Mn2+- and Co2+-based coordination networks using two Co3+-based metalloligands differing by the position of the appended arylcarboxylate groups. The structural analyses reveal topologically distinct networks with pores of variable dimensions allowing facile diffusion of substrates and/or reagents. All four networks function as heterogeneous catalysts for the olefin epoxidation reactions using tert-butyl-hydroperoxide without any requirement of solvent or additive. Control and optimization experiments illustrate recyclable network-based catalysts that make them attractive candidates for the "greener" oxidation chemistry processes.

Mononuclear complexes of amide-based ligands containing appended functional groups: Role of secondary coordination spheres on catalysis

Bansal, Deepak,Kumar, Gulshan,Hundal, Geeta,Gupta, Rajeev

, p. 14865 - 14875 (2015/02/19)

Amide-based ligands H2L1, H2L2 and H2L3 containing thiazole, thiazoline and benzothiazole appended groups have been used to synthesize Zn2+ (1 and 3), Cd2+ complexes (2 and 4), and a Mn2+ complex (5). In all cases, potentially multidentate ligands create a meridional N3 coordination environment around the M(ii) ion whereas additional sites are occupied by labile nitrate ions in 1-4 and MeOH in 5. Interestingly, metal complexation caused the migration of protons from amidic N-H sites to the appended heterocyclic rings in complexes 1-4. Structural studies show that the protonated heterocyclic rings in these complexes create a hydrogen bond based cavity adjacent to the metal ion. Importantly, binding studies confirm that the substrates are bound within the complex cavity closer to the Lewis acidic metal in all complexes including the oxidation-sensitive Mn ion in complex 5. All complexes have been utilized as the reusable and heterogeneous catalysts for ring-opening reactions of assorted epoxides, cyanation reactions of various aldehydes, and epoxidation reactions of several olefins. This journal is

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