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6-Methyl-1,3,8-trichlorodibenzofuran

HCID 114900
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
118174-38-2
표준 SMILES
Cc1cc(Cl)cc2c1oc1cc(Cl)cc(Cl)c12
InChIKey
RPMARRQIRRJWEZ-UHFFFAOYSA-N
분자식
C13H7Cl3O
평균 분자량
285.5 g/mol
단동위원소 질량
283.95624788

개요

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)

이름 및 식별자

우선 이름
6-Methyl-1,3,8-trichlorodibenzofuran
IUPAC
1,3,8-trichloro-6-methyldibenzofuran

이름 및 동의어

6-Methyl-1,3,8-trichlorodibenzofuranMCDF6-MCDF118174-38-21FU4HF6ELFRefChem:1049753,5,12-trichloro-10-methyl-8-oxatricyclo(7.4.0.02,7)trideca-1(13),2,4,6,9,11-hexaeneAhR modulator-1115039-00-41,3,8-trichloro-6-methyldibenzofuran1,3,8-Trichloro-6-methyldibenzo[b,d]furanCHEMBL4580482
이름 더 보기
Dibenzofuran, 6-methyl-1,3,8-trichloro-DTXSID50921594RPMARRQIRRJWEZ-UHFFFAOYSA-NAhR modulator-1?UNII-1FU4HF6ELForb1710467SCHEMBL1804174BDBM50506038

데이터베이스 식별자

CAS
118174-38-2
PubChem CID
114900
DTXSID
DTXSID50921594
ChEMBL
CHEMBL4580482
UNII
1FU4HF6ELF
Nikkaji
J385.599F

물성

구조 계산 물성

XLogP
6.1
극성 표면적
13.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
17
형식 전하
0
복잡도
298

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

독성 정보

Health Effects · 1건

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 · 1건

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 ClassificationNo indication of carcinogenicity (not listed by IARC). (L135)

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

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)

용도 및 제조

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)

관련 반응

1건
반응 기록 만들기
HRID 439746 반응식
HRID 439746생성물로uspto-grants-1996_05

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