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2,3',4,4',5-펜타클로로바이페닐

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

HCID 35823
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
31508-00-6
표준 SMILES
Clc1ccc(-c2cc(Cl)c(Cl)cc2Cl)cc1Cl
InChIKey
IUTPYMGCWINGEY-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
1,2,4-trichloro-5-(3,4-dichlorophenyl)benzene
현지명
2,3',4,4',5-펜타클로로바이페닐
영어명
2,3',4,4',5-Pentachlorobiphenyl
분자식
C12H5Cl5
분자량
326.43

이름 및 동의어

31508-00-62,3',4,4',5-PENTACHLOROBIPHENYLPCB 1181,1'-Biphenyl, 2,3',4,4',5-pentachloro-2,3',4,4',5-Pentachloro-1,1'-biphenyl3,4,2',4',5'-PentachlorobiphenylPCB-1181,2,4-trichloro-5-(3,4-dichlorophenyl)benzene2B2AQE8U502,4,5,3',4'-PentachlorobiphenylDTXSID4032116RefChem:53556
이름 더 보기
2,3',4,4',5-펜타클로로바이페닐CB-118BZ-118PBDE-118BZ NO 118PCB NO 118PCBCONGENER118C20011800 PCB No. 118PCB No. 118 in Cyclohexane1,1'-BIPHENYL,2,3',4,4',5-PEN
DTXCID2012116621-375-2PCB118PenCbBiphenyl, 2,3',4,4',5-pentachloro-PCB No. 118CHEMBL137264CDE-99;PCB No 118

데이터베이스 식별자

CAS
31508-00-6
PubChem CID
35823

물성

구조 계산 물성

XLogP
7.1
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
259

실험 및 물리화학적 성질

PolymersPolychlorinated biphenyl
LogP6.49
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section · 2건

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

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

물리화학적 성질

녹는점
107 °C · 107°C
끓는 점
412.3 °C · 412.3°C (rough estimate)
밀도
1.522 · 1.5220 (rough estimate)
굴절률
1.62 · 1.6200 (rough estimate)
저장 조건
room temp
용해도
클로로포름(약간 용해됨), 헥산(약간 용해됨)
물리적 상태
고체
색상
흰색에서 황백색까지
수용성
13.44 ug/L · 13.44ug/L(20℃)
Henry's Law Constant
3.1 · 3.1×10-2 mol/(m3Pa) at 25℃, Li et al. (2003)
EPA
2 · 2,3',4,4',5-Pentachlorobiphenyl (31508-00-6)

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Warning

H373 (100%): 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

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

Regulation (EC) No 178/2002 (amended)

Substance: 2,3',4,4',5-pentachlorobiphenyl

Hazard Classes and CategoriesSTOT RE 2 (100%)

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)

상·하류 제품 정보

하류 제품

2,4,4'-트라이클로로-1,1'-바이페닐

공급사31 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
江苏智芯廷科技有限公司18221391031 · [email protected]

관련 반응

1건
반응 기록 만들기
HRID 1885512 반응식
HRID 1885512생성물로uspto-grants-1992_09

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
DTXSID
DTXSID4032116
ChEMBL
CHEMBL137264
ChEBI
CHEBI:81520
UNII
2B2AQE8U50
EC Number
621-375-2
Nikkaji
J126.396J
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 Classification · 6건

TEF evaluation (PCB 118)

TR-559: Toxicology and Carcinogenesis Studies of TEF evaluation (PCB 118) (CASRN 31508-00-6) in Harlan Sprague-Dawley Rats (Gavage Studies) (2010 )

02/25/09

Clear Evidence

Under the conditions of this 2-year gavage study, there was clear evidence of carcinogenic activity of PCB 118 in female Harlan Sprague-Dawley rats based on increased incidences of neoplasms of the liver (cholangiocarcinoma, hepatocholangioma, and hepatocellular adenoma) and cystic keratinizing epithelioma of the lung. Occurrences of carcinoma in the uterus were considered to be related to the administration of PCB 118. Occurrences of squamous cell carcinoma of the uterus and acinar neoplasms of the pancreas may have been related to administration of PCB 118.

1, 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

rtecs
TQ1350000
ridadr
UN 3432 9/PG 2
risk_code
33-50/53
hazard_code
N,Xn
safety_code
35-60-61
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上海艾梯西生物科技有限公司18721763493 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
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上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Aladdin Scientific[email protected]
上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318584237 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
青岛腾龙微波科技有限公司0532-83818797 17669478191 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
广州奥司汀生物技术有限公司15918640830 13268843209 · [email protected]