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2',3,4,4',5-Pentachlorobiphenyl

HCID 47650
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
65510-44-3
표준 SMILES
Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2)c(Cl)c1
InChIKey
YAHNWSSFXMVPOU-UHFFFAOYSA-N
분자식
C12H5Cl5
평균 분자량
326.4 g/mol
단동위원소 질량
323.883389

개요

2,3',4,4',5'-Pentachlorobiphenyl is a dichlorobenzene, a trichlorobenzene and a pentachlorobiphenyl.

이름 및 식별자

우선 이름
2',3,4,4',5-Pentachlorobiphenyl
IUPAC
1,2,3-trichloro-5-(2,4-dichlorophenyl)benzene
영어명
2',3,4,4',5-PENTACHLOROBIPHENYL
분자식
C12H5Cl5
분자량
326.43

이름 및 동의어

2,3',4,4',5'-Pentachlorobiphenyl2',3,4,4',5-PENTACHLOROBIPHENYL2,3',4,4',5'-Pentachloro-1,1'-biphenylUNII-1R4Z1DI9BB1R4Z1DI9BB2',3,4,4',5-Pentachloro-1,1'-biphenylDTXSID508671601,1'-Biphenyl, 2',3,4,4',5-pentachloro-1,1'-Biphenyl, 2,3',4,4',5'-pentachloro-RefChem:53414DTXCID3081536665510-44-3
이름 더 보기
PCB-123CB-123BZ# 12323445PECBBZ NO 123PCB NO 123C20012300 PCB No. 123PCB No. 123 10 μg/mL in Isooctane
PCB 1231,2,3-trichloro-5-(2,4-dichlorophenyl)benzenePCB No. 123CHEMBL137662SCHEMBL2908267CHEBI:81521MSK3722BDBM50408367

데이터베이스 식별자

CAS
65510-44-3
PubChem CID
47650
DTXSID
DTXSID50867160
ChEMBL
CHEMBL137662

물성

구조 계산 물성

XLogP
6.9
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
1
무거운 원자 수
17
형식 전하
0
복잡도
247

실험 및 물리화학적 성질

LogP6.5
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section · 2건

161.6 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]

156.79 Ų [M]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]

물리화학적 성질

녹는점
111 · 111-115°C
끓는 점
390.2 · 390.2±37.0 °C(Predicted)
밀도
1.522 · 1.522±0.06 g/cm3(Predicted)
저장 조건
room temp
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨, 가열, 초음파 처리)
물리적 상태
고체
색상
흰색에서 황백색까지
Henry's Law Constant
4.6 · 4.6×10-2 mol/(m3Pa) at 25℃, Fang et al. (2006)
EPA
2 · 2,3',4,4',5'-Pentachlorobiphenyl (65510-44-3)

안전 및 규제

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

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 7.1% (3 of 42) of reports.

Warning

H373 (92.9%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, P273, P319, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

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

Regulation (EC) No 178/2002 (amended)

Hazard Classes and CategoriesSTOT RE 2 (92.9%)

안전 및 보호

Minimum Risk LevelIntermediate Oral: 0.03 ug/kg/day (L134)

독성 정보

Treatment · 1건

There are no specific treatments for PCB poisoning, since it is not usually recognized until after substantial chronic exposure. Only preventing further exposure and treating the observed symptoms can be done. Acute inhalation can be treated by administering oxygen. (L4)

Health Effects · 1건

The most common health effects of PCBs are skin conditions such as chloracne and rashes. Chronic PCB exposure has also been shown to cause liver, stomach and kidney, damage, jaundice, edema, anemia, changes in the immune system, behavioral alterations, and impaired reproduction. (L4)

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

PCBs are absorbed via inhalation, oral, and dermal routes of exposure. They are trasported in the blood, often bound to albumin. Due to their lipophilic nature they tend to accumulate in lipid-rich tissues, such as the liver, adipose, and skin. Metabolism of PCBs is very slow and varies based on the degree and position of chlorination. PCBs are metabolized by the microsomal monooxygenase system catalyzed by cytochrome P-450 enzymes to polar metabolites that can undergo conjugation with glutathione and glucuronic acid. The major metabolites are hydroxylated products which are excreted in the bile and faeces. The slow metabolism of PCBs means they tend to accumulate in body tissues. (L4, T6)

용도 및 제조

Uses · 1건

PCBs were used as coolants and lubricants in transformers, capacitors, and other electrical devices (such as fluorescent lights and refridgerators) produced before 1977. PCBs may contaminate the air and water near hazardous waste sites. In addition, PCBs bioaccumulate in the environment and may be found in fish, meat, and dairy products. (L4)

응용 분야

용도2'',3,4,4'',5-Pentachlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.

공급사23 곳

阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏智芯廷科技有限公司18221391031 · [email protected]
上海艾梯西生物科技有限公司18721763493

관련 반응

0건
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
ChEBI
CHEBI:81521
UNII
1R4Z1DI9BB
EC Number
690-284-8
Nikkaji
J164.840C
Exposure RoutesOral (L4) ; inhalation (L4) ; dermal (L4)
Toxicity Summary · 1건

The mechanism of action varies with the specific PCB. Dioxin-like PCBs bind to the aryl hydrocarbon receptor, which disrupts cell function by altering the transcription of genes, mainly be inducing the expression of hepatic Phase I and Phase II enzymes, especially of the cytochrome P450 family. Most of the toxic effects of PCBs are believed to be results of Ah receptor binding. Other PBCs are believed to interfere with calcium channels and/or change brain dopamine levels. PCBs can also cause endocrine disurption by altering the production of thyroid hormones and binding to estrogen receptors, which can stimulate the growth of certain cancer cells and produce other estrogenic effects, such as reproductive dysfunction. They will bioaccumulate by binding to receptor proteins such as uteroglobin. (A3, A4, A30, A66)

Signs and SymptomsChronic PCB exposure results in symptoms such as abdominal pain, nausea, vomiting, diarrhea, headache, dizziness, depression, nervousness, dermal and ocular lesions, fatigue, irregular menstrual cycles and a lowered immune response. (A3)
Carcinogen Classification1, carcinogenic to humans. (L135)
Toxicity DataLD50: 1010 mg/kg (Oral, Rat) (T14) LD50: 880 mg/kg (Intraperitoneal, Mouse) (T14)
RAIS Toxicity Values · 6건

0.00114

WHO/TEF

0.00133333333333333

WHO/TEF

2.33333333333333e-05

WHO/TEF

Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 · 6건

1.20e-01

4.90e-01

2.50e-03

1.10e-02

4.00e-03

5.00e+02

Hazard Quotient Level 3 or Cancer Risk Level 1E-04 · 6건

4.10e+00

4.90e+01

2.50e-01

1.10e+00

4.00e-01

5.00e+02

안전 데이터

risk_code
33-50/53
hazard_code
N
safety_code
60-61
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成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
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Aladdin Scientific[email protected]
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上海安谱实验科技股份有限公司18502138905 · [email protected]
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