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1,2,3,7,8-펜타클로로디벤조-p-다이옥신

1,2,3,7,8-Pentachlorodibenzo-p-dioxin

HCID 38439
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
40321-76-4
표준 SMILES
Clc1cc2c(cc1Cl)Oc1c(cc(Cl)c(Cl)c1Cl)O2
InChIKey
FSPZPQQWDODWAU-UHFFFAOYSA-N
분자식
C12H3Cl5O2
평균 분자량
356.4 g/mol
단동위원소 질량
353.857568

개요

1,2,3,7,8-Pentachlorodibenzodioxin is a polychlorinated dibenzodioxine.

이름 및 식별자

우선 이름
1,2,3,7,8-Pentachlorodibenzo-p-dioxin
IUPAC
1,2,3,7,8-pentachlorodibenzo-p-dioxin
현지명
1,2,3,7,8-펜타클로로디벤조-p-다이옥신
영어명
1,2,3,7,8-PENTACHLORODIBENZO-P-DIOXIN
분자식
C12H3Cl5O2
분자량
356.42

이름 및 동의어

1,2,3,7,8-PENTACHLORODIBENZO-P-DIOXIN40321-76-41,2,3,7,8-Pentachlorodibenzodioxin1,2,3,7,8-PeCDDPCDD 54Dibenzo-p-dioxin, 1,2,3,7,8-pentachloro-2NE6H0QPCHDTXSID70520781,2,3,7,8-Pentachlorooxanthrene1,2,3,7,8-Pentachlorodibenzo(b,e)(1,4)dioxin1,2,3,7,8-Pentachlorodibenzo[b,e][1,4]dioxinDibenzo(b,e)(1,4)dioxin, 1,2,3,7,8-pentachloro-
이름 더 보기
1,2,3,7,8-펜타클로로디벤조-p-다이옥신1,2,3,7,8-PCDD1,2,3,7,8-PNCDDPentachlorobenzo-p-dioxin, 1,2,3,7,8-1,2,3,7,8-pentachloro-dibenzo-p-dioxi2,3,4,7,8-Pentachlorodibenzo[1,4]dioxin1,2,3,7,8-PENTACHLORODIBENZO-PARA-DIOXIN
PeCDDRefChem:71372DTXCID2030645694-814-9CHEMBL137220BRN 16268441,2,3,7,8-Pentachlorodibenzo-p-dioxin (>85%)UNII-2NE6H0QPCH

데이터베이스 식별자

CAS

물성

구조 계산 물성

XLogP
6.6
극성 표면적
18.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
19
형식 전하
0
복잡도
344

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point
LogP6.64
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section165.2 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]

물리화학적 성질

녹는점
206 °C · 206°C (estimate)
끓는 점
442.63 °C · 442.63°C (rough estimate)
밀도
1.78 · 1.7800 (estimate)
굴절률
1.661 · 1.6610 (estimate)
용해도
n-nonane: Soluble
Henry's Law Constant
5.2 · 5.2×10-5 mol/(m3Pa) at 25℃, Paasivirta et al. (1999)
EPA
1 · 1,2,3,7,8-Pentachlorodibenzo-p-dioxin (40321-76-4)

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]

P264, P270, P273, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Hazard Traits - Bioaccumulation; Carcinogenicity; Dermatotoxicity; Endocrine Toxicity; Environmental Persistence; Environmental tox; Hematotoxicity; Hepatotoxicity and Digestive System Toxicity; Reproductive Toxicity; Respiratory Toxicity

Regulation (EC) No 178/2002 (amended)

Hazard Classes and CategoriesAcute Tox. 1 (100%)

안전 및 보호

Minimum Risk LevelAcute Oral: 0.0002 ug/kg/day (L134) Intermediate Oral: 0.00002 ug/kg/day (L134) Chronic Oral: 0.000001 ug/kg/day (L134)
Protective Action Criteria (PAC) · 3건

0.00013 [mg/m3]

0.0014 [mg/m3]

0.0085 [mg/m3]

독성 정보

TreatmentTreatment of CDD exposure may include washing the area of contact, GI decontamination, administering an IV, or forced alkaline diuresis. (L346)
Health Effects · 1건

Exposure to large amounts of CDDs causes chloracne, a severe skin disease with acne-like lesions that occur mainly on the face and upper body. CDDs may also cause liver damage and induce long-term alterations in glucose metabolism and subtle changes in hormonal levels. In addition, studies have shown that CDDs may disrupt the endocrine system and weaken the immune system, as well as cause reproductive damage and birth defects, central and peripheral nervous system pathology, thyroid disorders, endometriosis, and diabetes. (L177, L178)

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

CDDs are absorbed through oral, inhalation, and dermal routes of exposure. CDDs are carried in the plasma by serum lipids and lipoproteins, distributing mainly to the liver and adipose tissue. CDDs are very slowly metabolized by the microsomal monooxygenase system to polar metabolites that can undergo conjugation with glucuronic acid and glutathione. They may increase the rate of their own metabolism by inducing both phase I and phase II enzymes. The major routes of excretion of CDDs are the bile and the faeces, though smaller amounts are excreted in the urine and via lactation. (L177)

용도 및 제조

Uses · 1건

Dioxins occur as by-products from the manufacture of organochlorides, the bleaching of paper, chlorination by waste and drinking water treatment plants, municipal solid waste and industrial incinerators, and natural sources such as volcanoes and forest fires. (L177, L178)

응용 분야

용도A toxic polychlorinated dibenzo-p-dioxin detected in domestic meat and poultry.

상·하류 제품 정보

상류 원료

2,3,7,8-테트라클로로디벤조-P-디옥신1,2,3,4,7,8-헥사클로로디벤조-P-다이옥신1,2,3,6,7,8-헥사클로로-p-다이옥신2,4,5-트리클로로페놀

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0건
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
40321-76-4
PubChem CID
38439
DTXSID
DTXSID7052078
ChEMBL
CHEMBL137220
ChEBI
CHEBI:81501
UNII
2NE6H0QPCH
EC Number
694-814-9
Nikkaji
J34.849J
Exposure RoutesOral (L177) ; inhalation(L177) ; dermal (L177)
Toxicity Summary · 1건

CDDs cause their toxic effects by binding to the aryl hydrocarbon receptor and subsequently altering the transcription of certain genes. The affinity for the Ah receptor depends on the structure of the specific CDD. The change in gene expression may result from the direct interaction of the Ah receptor and its heterodimer-forming partner, the aryl hydrocarbon receptor nuclear translocator, with gene regulatory elements or the initiation of a phosphorylation/dephosphorylation cascade that subsequently activates other transcription factors. The affected genes include several oncogenes, growth factors, receptors, hormones, and drug-metabolizing enzymes. The change in transcription/translation of these genes is believed to be the cause of most of the toxic effects of CDDs. (L177)

Signs and SymptomsIn addition to chloracne, CDD exposure causes skin rashes, discoloration, and excessive body hair. (L177)
Carcinogen Classification3, not classifiable as to its carcinogenicity to humans. (L135)
RAIS Toxicity Values · 6건

38

WHO/TEF

4e-08

WHO/TEF

7e-10

WHO/TEF

안전 데이터

ridadr
2811
독성
LD50 orl-rat: 206 mg/kg ARTODN 66,471,92
포장분류
I
위험 등급
6.1(a)