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2,2',5-트라이클로로바이페닐

2,2',5-Trichlorobiphenyl

HCID 37803
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
37680-65-2
표준 SMILES
Clc1ccc(Cl)c(-c2ccccc2Cl)c1
InChIKey
DCMURXAZTZQAFB-UHFFFAOYSA-N
분자식
C12H7Cl3
평균 분자량
257.5 g/mol
단동위원소 질량
255.961333

개요

2,2',5-Trichlorobiphenyl is one of 209 polychlorinated biphenyls (PCBs). PCBs are a group of synthetic organic compounds with 1-10 chlorine atoms attached to biphenyl. They were manufactured as commercial mixtures but banned in the 1970's because they were found to bioaccumulate and cause harmful health effects. However, PCBs do not break down readily and are still found in the environment. (L4)

이름 및 식별자

우선 이름
2,2',5-Trichlorobiphenyl
IUPAC
1,4-dichloro-2-(2-chlorophenyl)benzene
현지명
2,2',5-트라이클로로바이페닐
영어명
2,2',5-Trichlorobiphenyl
분자식
C12H7Cl3
분자량
257.54

이름 및 동의어

2,2',5-TRICHLOROBIPHENYL37680-65-2PCB 182,5,2'-Trichlorobiphenyl1,1'-Biphenyl, 2,2',5-trichloro-1,4-dichloro-2-(2-chlorophenyl)benzene2,2',5-Trichloro-1,1'-biphenyl2,2',5'-Trichlorobiphenyl6LEV53Y3OXDTXSID60734912,2',5-TBPRefChem:53543
이름 더 보기
2,2',5-트라이클로로바이페닐CB-18PCB-18BZ NO 182,5,2'-CB2,2′,5-PCBCB 18 (chlorocarbon)C20001800 PCB No. 182,5,2’-trichlorobiphenyl
DTXCID7039383621-394-6PCB No. 182,2',5-TrichlorobiphenyPCB No 18UNII-6LEV53Y3OXBRN 24533472,2',5-trichlorbiphenyl

데이터베이스 식별자

CAS
37680-65-2
PubChem CID
37803
DTXSID
DTXSID6073491
ChEMBL
CHEMBL13843
UNII
6LEV53Y3OX

물성

구조 계산 물성

XLogP
5.6
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
1
무거운 원자 수
15
형식 전하
0
복잡도
207

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP5.34
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section147.6 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]

물리화학적 성질

녹는점
44 ℃ · 44℃
끓는 점
334.36 °C · 334.36°C (rough estimate)
밀도
1.351 · 1.3510 (rough estimate)
굴절률
1.604 · 1.6040 (rough estimate)
저장 조건
room temp
수용성
0.64 mg/L · 0.64mg/L(25℃)
Henry's Law Constant
2.9 · 2.9×10-1 mol/(m3Pa) at 25℃, Bhangare et al. (2019)
EPA
2 · 2,2',5-Trichlorobiphenyl (37680-65-2)

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

유해성 정보

Regulatory InformationHazard Traits - Carcinogenicity; Dermatotoxicity; Endocrine Toxicity; Immunotoxicity; Reproductive Toxicity
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 Routes

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 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

용도2,2'',5-Trichlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.

상·하류 제품 정보

하류 제품

2,4,4'-트라이클로로-1,1'-바이페닐

공급사30 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

관련 반응

0건
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
EC Number
621-394-6
Nikkaji
J150.408H
Oral (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

rtecs
DV8820000
ridadr
UN 3432 9/PG 2
독성
TDLo ipr-rat: 150 mg/kg/3D-I TXAPA9 33,94,75
risk_code
33-50/53
hazard_code
N,Xn
safety_code
35-60-61
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