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1-Chlorodibenzofuran, with the molecular formula C13H7ClO, is a chemical compound that is clear, colorless, and has a faint odor. It is slightly soluble in water and is commonly used in research and industrial applications. 1-CHLORODIBENZOFURAN is often utilized in the production of pharmaceuticals, agrochemicals, and organic dyes, as well as in the synthesis of various organic compounds. Due to its potential toxicological effects, 1-chlorodibenzofuran has been studied for its impact on human health and the environment, and is subject to strict regulations and safety measures.

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  • 84761-86-4 Structure
  • Basic information

    1. Product Name: 1-CHLORODIBENZOFURAN
    2. Synonyms: 1-Chlorodibenzo[b,d]furan; Dibenzofuran, 1-chloro; dibenzofuran, 1-chloro-; Dibenzofuran, chloro-
    3. CAS NO:84761-86-4
    4. Molecular Formula: C12H7ClO
    5. Molecular Weight: 202.6364
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 84761-86-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 323°C at 760 mmHg
    3. Flash Point: 149.1°C
    4. Appearance: /
    5. Density: 1.329g/cm3
    6. Vapor Pressure: 0.000509mmHg at 25°C
    7. Refractive Index: 1.703
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 1-CHLORODIBENZOFURAN(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-CHLORODIBENZOFURAN(84761-86-4)
    12. EPA Substance Registry System: 1-CHLORODIBENZOFURAN(84761-86-4)
  • 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: 84761-86-4(Hazardous Substances Data)

84761-86-4 Usage

Uses

Used in Pharmaceutical Industry:
1-Chlorodibenzofuran is used as an intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of new drugs and improve existing ones.
Used in Agrochemical Industry:
1-Chlorodibenzofuran is used as a precursor in the production of agrochemicals, aiding in the creation of effective pesticides and other agricultural chemicals.
Used in Dye Industry:
1-Chlorodibenzofuran is used as a component in the synthesis of organic dyes, contributing to the development of a wide range of colorants for various applications.
Used in Organic Synthesis:
1-Chlorodibenzofuran is used as a reagent in the synthesis of various organic compounds, playing a crucial role in the creation of new chemical entities and the advancement of organic chemistry.
Due to the potential hazards associated with 1-chlorodibenzofuran, it is essential to follow strict regulations and safety measures during its use in these industries to minimize the risk to human health and the environment.

Check Digit Verification of cas no

The CAS Registry Mumber 84761-86-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,4,7,6 and 1 respectively; the second part has 2 digits, 8 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 84761-86:
(7*8)+(6*4)+(5*7)+(4*6)+(3*1)+(2*8)+(1*6)=164
164 % 10 = 4
So 84761-86-4 is a valid CAS Registry Number.
InChI:InChI=1/C12H7ClO/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-7H

84761-86-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-chlorodibenzofuran

1.2 Other means of identification

Product number -
Other names Dibenzofuran,1-chloro

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:84761-86-4 SDS

84761-86-4Downstream Products

84761-86-4Relevant articles and documents

COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE

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Paragraph 0289; 0294-0295; 0308-0309, (2021/06/22)

The present invention is related to a first compound for an organic optoelectronic device represented by Chemical Formula 1, a composition for an organic optoelectronic device including the same, an organic optoelectronic device, and a display device. In Chemical Formula 1, definitions of each substituent are the same as defined in the specification.

COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE

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Paragraph 0288; 0293-0294; 0304; 0307-0308, (2021/09/03)

The present invention relates to a compound for an organic optoelectronic device, represented by Chemical Formula 1; a composition for an organic optoelectronic device, including same; an organic optoelectronic device; and a display device. The description of Chemical Formula 1 is the same as that defined in the specification.

ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE

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Paragraph 0262; 0267; 0268; 0282; 0285; 0286, (2020/05/29)

An organic optoelectronic device and a display device including the organic optoelectronic device, the organic optoelectronic device including an anode and a cathode facing each other, a light emitting layer between the anode and the cathode, a hole transport layer between the anode and the light emitting layer, and a hole transport auxiliary layer between the light emitting layer and the hole transport layer, wherein the light emitting layer includes a first compound represented by Chemical Formula 1 and a second compound represented by Chemical Formula 2, and the hole transport auxiliary layer includes a third compound represented by Chemical Formula 3,

COMPOSITION AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE

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Paragraph 0331-0332; 0337-0338; 0348-0349; 0352-0353, (2020/02/19)

A composition including a first compound, the first compound being represented by a combination of Chemical Formula 1 and Chemical Formula 2 bonded together, and a second compound, the second compound being represented by Chemical Formula 3, as well as an organic optoelectronic device and a display device are disclosed In Chemical Formula 1 to Chemical Formula 3, each substituent is the same as described in the specification.

Regioselective haloaromatization of 1,2-bis(ethynyl)benzene via halogen acids and PtCl2. Platinum-catalyzed 6-π electrocyclization of 1,2-bis(1′-haloethenyl)benzene intermediates

Lo, Ching-Yu,Kumar, Manyam Praveen,Chang, Hsu-Kai,Lush, Shie-Fu,Liu, Rai-Shung

, p. 10482 - 10487 (2007/10/03)

Treatment of 1,2-bis(ethynyl)benzene (1) with aqueous HX (X = Br, I) in hot 3-pentanone (100-105 °C, 2 h) afforded 1,2-bis(1′-haloethenyl)benzene species 2-Br and 2-I in 98% and 95% yields, respectively. The hydrochlorination of endiyne 1 failed to proceed at elevated temperature but was implemented efficiently by PtCl2 (5 mol %) in hot 3-pentanone (100 °C, 2 h) to give 1,2-bis(1′-chloroetheny)benzene 2-Cl in 80% yield. In the presence of PtCl2 (5 mol %), these halides 2-Cl, 2-Br, and 2-I were subsequently converted to 1-halonaphthalenes 3-Cl, 3-Br, and 3-I in the mother solution via sequential 6-π electrocyclization and dehalogenation reactions. PtCl2 (5 mol %) also effected direct haloaromatization of endiyne 1 with HX (X = Cl, Br, I) and gave 1-halonaphthalenes 3-Cl, 3-Br, and 3-I in 64-71% yields. This investigation reports the scope and the regioselectivity of haloaromatization of various enediynes catalyzed by PtCl2.

Prediction of polychlorinated dibenzofuran congener distribution from gas-phase phenol condensation pathways

Ryu, Jae-Yong,Mulholland, James A.,Oh, Jeong-Eun,Nakahata, Duane T.,Kim, Do-Hyong

, p. 1447 - 1455 (2007/10/03)

A model for predicting the distribution of dibenzofuran and polychlorinated dibenzofuran (PCDF) congeners from a distribution of phenols was developed. The model is based on a simplified chemical mechanism. Relative rate constants and reaction order with respect to phenol precursors were derived from experimental results using single phenols and equal molar mixtures of up to four phenols. For validation, experiments were performed at three temperatures using a distribution of phenol and 19 chlorinated phenols as measured in municipal waste incinerator exhaust gas. Comparison of experimental measurements and model predictions for PCDF isomer distributions and homologue pattern shows agreement within measurement uncertainty. The R-squared correlation coefficient exceeds 0.9 for all PCDF isomer distributions and the distribution of PCDF homologues. These results demonstrate that the distribution of dibenzofuran and the 135 PCDF congeners from gas-phase condensation of phenol and chlorinated phenols can be predicted from measurement of the distribution of phenol and the 19 chlorinated phenol congeners.

Identification of surrogate compounds for the emission of PCDD/F (I-TEQ value) and evaluation of their on-line realtime detectability in flue gases of waste incineration plants by REMPI-TOFMS mass spectrometry

Blumenstock,Zimmermann,Schramm,Kettrup

, p. 507 - 518 (2007/10/03)

Correlations between products of incomplete combustion (PIC), e.g., chloroaromatic compounds, can be used to characterise the emissions from combustion processes, like municipal or hazardous waste incineration. A possible application of such relationships may be the on-line real-time monitoring of a characteristic surrogate, e.g., with Resonance-Enhanced Multiphoton Ionization-Time-of-Flight Mass Spectrometry (REMPI-TOFMS). In this paper, we report the relationships of homologues and individual congeners of chlorinated benzenes (PCBz), dibenzo-p-dioxins (PCDD), dibenzofurans (PCDF) and phenols (PCPh) to the International Toxicity Equivalent (I-TEQ) of the PCDD/F (I-TEQ value) in the flue gas and stack gas of a 22 MW hazardous waste incinerator (HWI). As the REMPI detection sensitivity is decreasing with the increase of the degree of chlorination, this study focuses on the lower chlorinated species of the compounds mentioned above. Lower chlorinated species, e.g., chlorobenzene (MCBz), 1,4-dichlorobenzene, 2,4,6-trichlorodibenzofuran or 2,4-dichlorophenol, were identified as I-TEQ surrogates in the flue gas. In contrast to the higher chlorinated phenols, the lower chlorinated phenols (degree of chlorination 4) were not reliable as surrogates in the stack gas. The identified surrogates are evaluated in terms of their detectability by REMPI-TOFMS laser mass spectrometry. The outcome is that MCBz is the best suited surrogate for (indirect) on-line measuring of the I-TEQ value in the flue gas by REMPI-TOFMS. The correlation coefficient r of the MCBz concentration to the I-TEQ in the flue gas was 0.85.

Natural formation of chlorinated phenols, dibenzo-p-dioxins, and dibenzofurans in soil of a Douglas fir forest

Hoekstra, Eddo J.,De Weerd, Henk,De Leer, Ed W. B.,Brinkman, Udo A.Th.

, p. 2543 - 2549 (2007/10/03)

The natural formation of 4-MCP, 24/25- and 26-DCP, and 245-TrCP was detected in four selected areas of a rural Douglas fir forest where the humic layer was spiked in situ with a solution of Na37Cl and covered by an enclosure, after 1 year of incubation. Chlorinated phenols (CP) can be formed naturally from organic matter and inorganic chloride by either de novo synthesis or chloroperoxidase (CPO)-catalyzed chlorination. The natural CP congeners were found to be present in high concentrations in soil compared to the other congeners, except for 245-TrCP which was present in a relatively low concentration. This study did not reveal which source, natural or anthropogenic, caused the observed concentrations. Some 20 chlorinated dibenzo-p-dioxins and dibenzofurans (CDD/F) were found to be formed naturally in soil of the Douglas fir forest; the formation of three 2,3,7,8-substituted congeners, 2378-TeCDD, 12378-PeCDD, and 123789-HxCDD, deserves special attention. A formation mechanism has been proposed which starts from naturally formed CP congeners and which probably involves peroxidase mediation. Chlorination of CDD/F congeners by the CPO-mediated reaction cannot be ruled out, but seems to be less likely due to the absence of several predicted congeners. The natural formation of 4-MCP, 24/25- and 26-DCP, and 245-TrCP was detected in four selected areas of a rural Douglas fir forest where the humic layer was spiked in situ with a solution of Na37Cl and covered by an enclosure, after 1 year of incubation. Chlorinated phenols (CP) can be formed naturally from organic matter and inorganic chloride by either de novo synthesis or chloroperoxidase (CPO)-catalyzed chlorination. The natural CP congeners were found to be present in high concentrations in soil compared to the other congeners, except for 245-TrCP which was present in a relatively low concentration. This study did not reveal which source, natural or anthropogenic, caused the observed concentrations. Some 20 chlorinated dibenzo-p-dioxins and dibenzofurans (CDD/F) were found to be formed naturally in soil of the Douglas fir forest; the formation of three 2,3,7,8-substituted congeners, 2378-TeCDD, 12378-PeCDD, and 123789-HxCDD, deserves special attention. A formation mechanism has been proposed which starts from naturally formed CP congeners and which probably involves peroxidase mediation. Chlorination of CDD/F congeners by the CPO-mediated reaction cannot be ruled out, but seems to be less likely due to the absence of several predicted congeners.

SELECTIVE PREPARATION. 39. PREPARATION OF SOME CHLORODIBENZOFURANS FROM 1-HYDROXY- AND 2-HYDROXYDIBENZOFURAN

Tashiro, Masashi,Yoshiya, Haruo

, p. 2339 - 2343 (2007/10/02)

Some chlorodibenzofurans such as 1-chloro, 2-chloro-, 1,2,4-trichloro- and 1,2,3-trichlorodibenzofurans were prepared from 1-hydroxy- and 2-hydroxydibenzofuran.

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