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1-Chlorodibenzofuran

HCID 55293
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Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
84761-86-4
Standard SMILES
Clc1cccc2oc3ccccc3c12
InChIKey
WRSMJZYBNIAAEE-UHFFFAOYSA-N
Molecular formula
C12H7ClO
Average molar mass
202.63 g/mol
Monoisotopic mass
202.0185425

Overview

Chlorinated dibenzofurans (CDFs) are a family of chemical that contain one to eight chlorine atoms attached to the carbon atoms of the parent chemical, dibenzofuran. The CDF family contains 135 individual compounds (known as congeners) with varying harmful health and environmental effects. Of these 135 compounds, those that contain chlorine atoms at the 2,3,7,8-positions of the parent dibenzofuran molecule are especially harmful. Other than for laboratory use of small amounts of CDFs for research and development purposes, these chemicals are not deliberately produced by industry. Most CDFs are produced in very small amounts as unwanted impurities of certain products and processes utilizing chlorinated compounds. Only a few of the 135 CDF compounds have been produced in large enough quantities so that their properties, such as color, smell, taste, and toxicity could be studied. (L952)

Names & identifiers

Preferred name
1-Chlorodibenzofuran
IUPAC
1-chlorodibenzofuran
English name
DIBENZOFURAN,1-CHLORO-
Molecular formula
C12H7ClO
Molecular weight
202.64

Names & synonyms

1-CHLORODIBENZOFURAN84761-86-400SD1U3FL3RefChem:10552733-chloro-8-oxatricyclo(7.4.0.02,7)trideca-1(13),2,4,6,9,11-hexaene1-Chlorodibenzo[b,d]furanChlorodibenzofuranDibenzofuran, 1-chloroCCRIS 1437UNII-00SD1U3FL3PCDF 1SCHEMBL472793
Show more names
DIBENZOFURAN,1-CHLORO-
SCHEMBL1928219SCHEMBL30490062WRSMJZYBNIAAEE-UHFFFAOYSA-NDTXSID701005060MFCD00800057AS-88169SY277924NS00126438

Database identifiers

CAS
84761-86-4
PubChem CID
55293
DTXSID
DTXSID701005060
UNII
00SD1U3FL3
Nikkaji
J397.556H

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
13.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
14
Formal charge
0
Complexity
218

Physicochemical properties

Boiling point
323 · 323.0±15.0 °C(Predicted)
Density
1.329 · 1.329±0.06 g/cm3(Predicted)
Henry's Law Constant
8.3 · 8.3×10-2 mol/(m3Pa) at 25℃, Govers and Krop (1998)
FDA UNII
0 SD1U3FL3 · 00SD1U3FL3

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Toxicology

Health Effects · 1 item

CDFs cause vomiting and diarrhea, anemia, more frequent lung infections, numbness and other effects on the nervous system, and mild changes in the liver. However, there were no permanent liver changes or definite liver damage found in people who ingested CDFs. (L952)

Exposure RoutesInhalation (L952) ; dermal (L952) ; oral (L952)
Toxicity Summary · 1 item

Halogenated dibenzofurans (PCDFs and PBDFs) bind the aryl hydrocarbon receptor (AhR), which increases its ability to activate transcription in the XRE (xenobiotic resoponse element) promoter region. Specifically AhR binds to the PCDF, translocates it to the nucleus and together with hydrocarbon nuclear translocator (ARNT) and xenobiotic responsive element (XRE) increases the expression of CYP1A1 and aryl hydrocarbon hydroxylase (CYP1B1). AhR signaling also increseases conversion of arachidonic acid to prostanoids via cyclooxygenase-2, alters Wnt/beta-catenin signaling downregulating Sox9 and alters signaling by receptors for inflammatory cytokines. AhR signalling also alters proteasomal degradation of steroid hormone receptors, alters cellular UVB stress response and changes the differentiation of certain T-cell subsets. The resulting AhR mediated activation and alteration leads to body weight loss, cancer and thymic atrophy (characteristic of immune and endocrine disruption) which are common toxic responses to PCDFs and related toxic halogenated aryl hydrocarbons.

Signs and SymptomsSkin and eye irritations, especially severe acne, darkened skin color, and swollen eyelids with discharge are the most obvious health effects of the CDF poisoning. (L952)
Carcinogen Classification3, not classifiable as to its carcinogenicity to humans. (L135)

Chemistry & industry

Pharmacology

Metabolism/Metabolites · 1 item

No information on the metabolism of dibenzofuran in mammalian organisms was found in the available literature. The bacteria Sphingomonas, Brevibacterium, Terrabacter, and Staphylococcus auricularis degrade dibenzofuran to 2,2',3-trihydroxybiphenyl via dibenzofuran 4,4a-dioxygenase. (L952)

Uses & manufacturing

UsesCDFs are created from production of coal tar and during incineration. They are used as insecticides, in the production of PVC, and in industrial bleaching. (L952)

Suppliers47 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Beijing Yanhua Jilian Optoelectronic Technology Co., Ltd.[email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
陕西纯晶萃光电科技有限公司+86-13152027579 13152027579 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
北京云基科技有限公司(+86)13146479469
郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
北京奥秘佳得医药科技有限公司
+86-13522808617 · [email protected]
郑州海阔光电材料有限公司86-0371-67759225 13526468238 · [email protected]
南兴化工(江苏)有限公司0512-66387035 18662433356 · [email protected]
Shengyan (Shanghai) New Material Co., Ltd.+86-021-37596312 +8613585706261 · [email protected]
郑州海阔光电材料有限公司0371-67759225 13526468238 · [email protected]
江苏南大光电材料股份有限公司13812687215 13555462360 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
南京凯木可科技有限公司15077877613 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
郑州海阔光电材料有限公司+86-0371-67759225 13526468238 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
山东弗珍化学科技有限公司13146841504 · [email protected]
西安凯翔光电科技有限公司18592059708 · [email protected]
浙江虹舞科技有限公司19705058148 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
Beijing Green Guardee Technology Co., Ltd86-010-69706062 · [email protected]
卓萃新材料科技(上海)有限公司021-52836897 13917661608 · [email protected]
Aladdin Scientific[email protected]
Suzhou Fenghua New Material Technology Co., Ltd.+8615952428079 · [email protected]
青岛晶目新材料科技有限公司0532-83311661 18561361393 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
上海亿万化工有限公司00-18662433356 18662433356 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
河北瑞芯电子新材料有限公司+86-0139-6951888 +86-17733008830 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
安徽拉瓦锡科技有限公司19520972426 · [email protected]
上海奕显光电科技有限公司15921600580 · [email protected]
Chemsigma International Co., Ltd.+86-2558742998 +86-19951791336 · [email protected]
淄博航宇生物科技发展有限公司+86-0533-2185556 +86-15965530500 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
陕西利和同创化工科技有限公司029-81116050 17782851193 · [email protected]
昇研(上海)新材料有限公司021-68093558 13585706261 · [email protected]