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2,2',5,5'-테트라클로로-1,1'-바이페닐

2,2',5,5'-Tetrachlorobiphenyl

HCID 37248
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
35693-99-3
표준 SMILES
Clc1ccc(Cl)c(-c2cc(Cl)ccc2Cl)c1
InChIKey
HCWZEPKLWVAEOV-UHFFFAOYSA-N
분자식
C12H6Cl4
평균 분자량
292 g/mol
단동위원소 질량
289.922361

개요

2,2',5,5'-tetrachlorobiphenyl is a tetrachlorobiphenyl that is biphenyl in which the hydrogens at the 2 and 5 position of each benzene ring are replaced by chlorines. It is a dichlorobenzene and a tetrachlorobiphenyl.

이름 및 식별자

우선 이름
2,2',5,5'-Tetrachlorobiphenyl
IUPAC
1,4-dichloro-2-(2,5-dichlorophenyl)benzene
현지명
2,2',5,5'-테트라클로로-1,1'-바이페닐
영어명
2,2',5,5'-TETRACHLOROBIPHENYL
분자식
C12H6Cl4
분자량
291.99

이름 및 동의어

2,2',5,5'-TETRACHLOROBIPHENYL35693-99-3PCB 521,1'-Biphenyl, 2,2',5,5'-tetrachloro-2,5,2',5'-Tetrachlorobiphenyl2,2',5,5'-TCB2,2',5,5'-Tetrachloro-1,1'-biphenyl2,3',5,6'-Tetrachlorobiphenyl1,4-dichloro-2-(2,5-dichlorophenyl)benzeneDTXSID30383051EH557950RCHEBI:34206
이름 더 보기
2,2',5,5'-테트라클로로-1,1'-바이페닐TeCB2,5,2’,5’-tetrachlorobiphenylNO 52CB-522525PCBBZ NO 52PCB in soil2,2',5,5'-PCB
RefChem:53508DTXCID1018305621-615-6PCB No 52PCB-52PCB No. 52TCBP2,2',5,5'-TETRACHLOROBIPHENYL (IUPAC N. 52) (purity)

데이터베이스 식별자

CAS
35693-99-3
PubChem CID
37248
DTXSID
DTXSID3038305
ChEMBL
CHEMBL273933
ChEBI
CHEBI:34206
UNII
1EH557950R
EC Number
621-615-6
Nikkaji
J147.956C

물성

구조 계산 물성

XLogP
6.1
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
1
무거운 원자 수
16
형식 전하
0
복잡도
209

실험 및 물리화학적 성질

PolymersPolychlorinated biphenyl
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP5.81
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section · 3건

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

156.2 Ų [M-Cl+O]-

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

물리화학적 성질

녹는점
87 ℃ · 87℃
끓는 점
374.95 °C · 374.95°C (rough estimate)
밀도
1.442 · 1.4420 (rough estimate)
굴절률
1.612 · 1.6120 (rough estimate)
인화점
4 °C · 4 °C
저장 조건
2 · 2-8°C
용해도
클로로포름(약간 용해됨), DMSO(약간 용해됨), 에틸아세테이트(약간 용해됨)
수용성
109.5 ug/L · 109.5ug/L(25℃)
BRN
2053828 · 2053828
Henry's Law Constant
3.5 · 3.5×10-2 mol/(m3Pa) at 25℃, Li et al. (2003)
EPA
2 · 2,2',5,5'-Tetrachlorobiphenyl (35693-99-3)

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 60 reports by companies from 5 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; Hepatotoxicity and Digestive System Toxicity; Immunotoxicity; Neurotoxicity; Reproductive Toxicity

Substance: 2,2',5,5'-tetrachlorobiphenyl

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)

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)

안전 데이터

wgk
3
rtecs
DV8660000
ridadr
2315
risk_code
33-50/53-67-65-38-11
hazard_code
N,Xn,F
safety_code
35-60-61-62-16
포장분류
II
위험 등급
9

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

공급사49 곳

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上海百舜生物科技有限公司021-37581181 · [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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추가 설명

정의ChEBI: A tetrachlorobiphenyl that is biphenyl in which the hydrogens at the 2 and 5 position of each benzene ring are replaced by chlorines.

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