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3-Nitrodibenzofuran, a chemical compound with the molecular formula C14H9NO3, is a nitro-substituted dibenzofuran derivative. It is a yellow crystalline solid with a melting point of approximately 164-166°C. 3-Nitrodibenzofuran is primarily utilized as an intermediate in the synthesis of pharmaceuticals and other organic compounds. Although it has been studied for its potential use in anti-cancer treatments due to its mutagenic and cytotoxic properties, its application is restricted because of its potential toxicity and environmental concerns. As an important intermediate in organic synthesis, 3-Nitrodibenzofuran requires careful handling and disposal to mitigate its potential health and environmental risks.

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  • 5410-97-9 Structure
  • Basic information

    1. Product Name: 3-Nitrodibenzofuran
    2. Synonyms: 3-NITRODIBENZOFURAN;3-Nitrodibenzo[b,d]furan;3-nitro-dibenzofura;Dibenzofuran, 3-nitro-;11-nitro-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaene;NSC 10862
    3. CAS NO:5410-97-9
    4. Molecular Formula: C12H7NO3
    5. Molecular Weight: 213.19
    6. EINECS: N/A
    7. Product Categories: Fluorobenzene;Furans
    8. Mol File: 5410-97-9.mol
  • Chemical Properties

    1. Melting Point: 181.5°C
    2. Boiling Point: 353.17°C (rough estimate)
    3. Flash Point: 183.4 °C
    4. Appearance: /
    5. Density: 1.2911 (rough estimate)
    6. Vapor Pressure: 1.26E-05mmHg at 25°C
    7. Refractive Index: 1.4500 (estimate)
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. CAS DataBase Reference: 3-Nitrodibenzofuran(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-Nitrodibenzofuran(5410-97-9)
    12. EPA Substance Registry System: 3-Nitrodibenzofuran(5410-97-9)
  • 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: 5410-97-9(Hazardous Substances Data)

5410-97-9 Usage

Uses

Used in Pharmaceutical Synthesis:
3-Nitrodibenzofuran is used as a key intermediate in the synthesis of various pharmaceuticals and organic compounds. Its unique chemical structure allows for the development of new drugs with potential therapeutic applications.
Used in Anti-Cancer Research:
3-Nitrodibenzofuran is used as a subject of research in anti-cancer treatments. Its mutagenic and cytotoxic properties have been studied for their potential to target and eliminate cancer cells. However, due to its potential toxicity, further research is necessary to explore its safe and effective use in cancer therapy.
Used in Environmental and Health Risk Assessment:
Given its potential toxicity and environmental concerns, 3-Nitrodibenzofuran is used in studies to assess and manage the risks associated with its production, handling, and disposal. This helps in developing guidelines and protocols for safe usage and disposal to minimize its impact on human health and the environment.

Check Digit Verification of cas no

The CAS Registry Mumber 5410-97-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,1 and 0 respectively; the second part has 2 digits, 9 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 5410-97:
(6*5)+(5*4)+(4*1)+(3*0)+(2*9)+(1*7)=79
79 % 10 = 9
So 5410-97-9 is a valid CAS Registry Number.
InChI:InChI=1/C12H7NO3/c14-13(15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8/h1-7H

5410-97-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Nitrodibenzo[b,d]furan

1.2 Other means of identification

Product number -
Other names 3-Nitrodibenzofuran

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:5410-97-9 SDS

5410-97-9Relevant articles and documents

3-Nitrodibenzofuran and 3-Iododibenzofuran

Chaloner, Penny A.,Hitchcock, Peter B.,Sutton, Peter G.

, p. 2680 - 2683 (1995)

The structures of 3-nitrodibenzofuran, C12H7NO3, and 3-iododibenzofuran, C12H7IO, have been determined.Both molecules are nearly planar and pack in herringbone patterns composed of symmetry related head-to-tail pairs with parallel ? systems.

Triarylated amine derivative and organic electroluminescence device with same

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Paragraph 0139; 0139; 0140; 0141, (2018/09/08)

The invention discloses a triarylated amine derivative and an organic electroluminescence device with the same, and relates to the technical field of organic photoelectric materials. The triarylated amine derivative has a large conjugated system, thereby having high hole mobility and presenting good hole transmissibility; in addition, the triarylated amine derivative has high thermal stability anddissolubility and is beneficial for material film forming. The organic electroluminescence device comprises a cathode, an anode and one or more organic matter layers. The organic matter layers are located between the cathode and the anode. At least one of the organic matter layers contains the triarylated amine derivative. The organic electroluminescence device has low driving voltages, high light-emitting efficiency, light-emitting luminance and long service life.

NOVEL TRIAZINE COMPOUND, AND ORGANIC ELECTRONIC ELEMENT AND PLANT-GROWING LIGHTING THAT USE THE SAME

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Paragraph 0077, (2018/07/28)

PROBLEM TO BE SOLVED: To provide a triazine compound which has a high triplet energy level and excellent heat resistance, and can be used as an organic electronic element material realizing an element with high efficiency, low voltage and a long life. SOLUTION: In the triazine compound, as represented by the general formula [1] in the figure, a triazine backbone moiety is linked to a dibenzofuran or dibenzothiophene backbone moiety via a biphenyl backbone moiety, where X is an oxygen atom or sulfur atom. SELECTED DRAWING: None COPYRIGHT: (C)2018,JPO&INPIT

Visible-Light-Promoted Synthesis of Dibenzofuran Derivatives

Cho, Ji Young,Roh, Geum-Bee,Cho, Eun Jin

, p. 805 - 811 (2018/01/28)

Dibenzofurans are naturally occurring molecules that have received considerable attention for a variety of practical applications, such as in pharmaceuticals and electronic materials. Herein, an efficient and eco-friendly method for the synthesis of dibenzofuran derivatives via intramolecular C-O bond formation, which involves the in situ production of a diazonium salt, is described. The transformation requires a diazotizing agent and is promoted by the use of an organic photosensitizer under visible-light irradiation.

With Wnt signal path to inhibit the active heterocyclic compounds (by machine translation)

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Paragraph 0061-0065, (2017/08/15)

The invention relates to a signal path with Wnt inhibiting activity of a heterocyclic compound, including the compound and its pharmaceutically acceptable salt, various isotope, various isomers or various crystal structure, having the general formula I of the structure shown in: the invention relates to a compound and its joint application composition can effectively inhibit the Wnt signal path, can be used for the treatment or prevention of a disorder associated with a Wnt signal path. (by machine translation)

A thermally stable anthracene derivative for application in organic thin film transistors

Zhao, Yang,Yan, Lijia,Murtaza, Imran,Liang, Xiao,Meng, Hong,Huang, Wei

, p. 105 - 111 (2017/01/25)

A novel multifunctional anthracene derivative 2,6-bis(dibenzo[b,d]furan-3-yl)anthracene) (BDBFAnt), by coupling anthracene moiety with dibenzo[b,d]furan units attached to its peripheral position, has been designed and synthesized for application in OTFT devices. Introduction of dibenzo[b,d]furan units in OTFTs is the first example and is highly innovative due to their suitable carrier transport ability, excellent thermal stability, fine film-forming property, rigid planarity and outstanding fluorescence. The fabricated OTFTs demonstrate a decent hole mobility (3.0?cm2/V s) and favorable green solid fluorescence with excellent thermal stability (up to 220?°C), which expound on the great potential of our material in organic electronics.

Microwave-Promoted Pd-Catalyzed Synthesis of Dibenzofurans from Ortho-Arylphenols

Schmidt, Bernd,Riemer, Martin

, p. 1287 - 1297 (2017/03/27)

ortho-Aryl phenols, synthesized via protecting group free Suzuki–Miyaura coupling of ortho-halophenols and arene boronic acids, undergo a cyclization to dibenzofurans via oxidative C–H activation. The reaction proceeds under microwave irradiation in short reaction times using catalytic amounts of Pd(OAc)2 without additional ligands.

Phosphorescent iridium complex containing 3-phenyl pyridazine structure, and applications thereof

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Paragraph 0055; 0056; 0057, (2016/10/10)

The invention discloses a phosphorescent iridium complex containing a 3-phenyl pyridazine structure, and applications thereof. Metal iridium is taken as the inner core of the phosphorescent iridium complex, and the phosphorescent iridium complex is taken

Phosphorescent iridium complex serving as OLED (organic light emitting diode) doping material

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Paragraph 0054; 0055; 0056, (2016/10/10)

The invention discloses a phosphorescent iridium complex serving as an OLED (organic light emitting diode) doping material. According to the iridium complex, metal iridium is taken as a structural inner core and applied to an OLED device and can emit phos

Double functionalization of 2-amino-2′-hydroxy-1,1′-biaryls: Synthesis of 4-nitro-dibenzofurans and benzofuro-indoles

Kumar, Amit,Sattar, Moh.,Verma, Ajay,Dara, Ankit,Kumar, Sangit

, p. 44728 - 44741 (2015/06/02)

Several substituted 2′-amino-biphenyl-2-ols were synthesized. The mild and TM-free double functionalization: nitration and cycloetherification of 2′-amino-biphenyl-2-ols have been achieved for the synthesis of functionalized 4-nitro-dibenzofurans utilizing NaNO2 in TFA and water. Interestingly, nitration of phenol ring was observed along with the dibenzofuran ring formation in the one-pot synthesis. The position of the nitro group in several dibenzofurans is also established by X-ray crystal structure studies. Further functionalization of the obtained 4-nitro-dibenzofurans has been carried into 3-nitro-terphenyl-2-ol, novel benzofuro-indoles, and amino-dibenzofurans. The mechanistic understanding on double functionalization of 2′-amino-biphenyl-2-ols suggests that reaction proceeds by a combination of nitration of the phenol ring followed by Sandmeyer reaction for dibenzofuran ring formation.

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