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4,4'-디클로로-1,1'-바이페닐

4,4'-Dichlorobiphenyl

HCID 16308
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
2050-68-2
표준 SMILES
Clc1ccc(-c2ccc(Cl)cc2)cc1
InChIKey
YTBRNEUEFCNVHC-UHFFFAOYSA-N
분자식
C12H8Cl2
평균 분자량
223.09 g/mol
단동위원소 질량
222.0003056

개요

4,4'-dichlorobiphenyl is a dichlorobiphenyl carrying chloro groups at positions 4 and 4' respectively. It is a dichlorobiphenyl and a member of monochlorobenzenes.

이름 및 식별자

우선 이름
4,4'-Dichlorobiphenyl
IUPAC
1-chloro-4-(4-chlorophenyl)benzene
현지명
4,4'-디클로로-1,1'-바이페닐
영어명
4,4'-Dichlorobiphenyl
분자식
C12H8Cl2
분자량
223.1

이름 및 동의어

4,4'-Dichlorobiphenyl2050-68-24,4'-DICHLORO-1,1'-BIPHENYLp,p-Dcbpp,p'-Dichlorobiphenyl1,1'-Biphenyl, 4,4'-dichloro-PCB 151-chloro-4-(4-chlorophenyl)benzeneBiphenyl, 4,4'-dichloro-4-DCB cpdDOF6S5DT2RDTXSID0022515
이름 더 보기
4,4'-디클로로-1,1'-바이페닐pcb154,4'-CB4,4'-PCBBZ NO 15NSC 1141PCB NO 15p,p’-dcbpBALLSCHMITER NO 15
NSC-1141CHEBI:34364RefChem:53597DTXCID502515218-095-4PCB No. 15Biphenyl,4'-dichloro-4,4 inverted exclamation marka-Dichlorobiphenyl

데이터베이스 식별자

CAS
2050-68-2
PubChem CID
16308
DTXSID
DTXSID0022515
ChEMBL
CHEMBL14295
ChEBI
CHEBI:34364
UNII
DOF6S5DT2R

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
14
형식 전하
0
복잡도
145

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP5.23
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section141.8 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]

물리화학적 성질

녹는점
288 ℃ · 288℃
끓는 점
289.78 °C · 289.78°C (rough estimate)
밀도
1.249 · 1.2490 (rough estimate)
굴절률
1.594 · 1.5940 (rough estimate)
인화점
-12 ℃ · -12℃
저장 조건
2 · 2-8°C
수용성
53 ug/L · 53ug/L(25ºC)
Henry's Law Constant
7 · 7.0×10-2 mol/(m3Pa) at 25℃, Li et al. (2003)
InChI
InChI=1S/C12H8Cl2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
InChIKey
YTBRNEUEFCNVHC-UHFFFAOYSA-N
SMILES

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 InformationSubstance: 4,4'-dichlorobiphenyl
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)

Exposure Routes

화학 및 산업

약리 정보

Metabolism/Metabolites · 2건

4,4'-Dichlorobiphenyl has known human metabolites that include 4,4-²-Dichloro-3-biphenylol.

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

용도4,4''-Dichlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.

상·하류 제품 정보

하류 제품

2,4'-다이클로로바이페닐

공급사58 곳

阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]

관련 반응

4건
반응 기록 만들기
HRID 268508 반응식
HRID 268508생성물로uspto-grants-1976_03
HRID 329313 반응식
HRID 329313생성물로uspto-grants-1977_04
HRID 1108513 반응식
HRID 1108513생성물로uspto-grants-2000_05
HRID 2119232 반응식
HRID 2119232반응물로uspto-grants-1987_07

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
EC Number
218-095-4
Nikkaji
J7.868I
C1(C2=CC=C(Cl)C=C2)=CC=C(Cl)C=C1
EPA
4 · 4,4'-Dichlorobiphenyl (2050-68-2)
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

wgk
3
rtecs
DV3912500
ridadr
2315
risk_code
11-36/37/38-22-50/53-33-67-65-38
hazard_code
F,Xi,Xn,N
safety_code
16-26-33-36-61-60-35-62
포장분류
II
위험 등급
9
郑州阿尔法化工有限公司
+86-18530059196 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
杭州研富贸易有限公司15990061515 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
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Weifang Wehibest Supply Chain Co.,Ltd+undefined13583620690 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
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上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
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成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
南京雅科伦医药科技有限公司025-66096098 3165145969 · [email protected]
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北京科易通达科技发展有限公司17743531240 · [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]
上海百舜生物科技有限公司021-37581181 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
南京昊绿生物科技有限公司025-84622273 17361806303 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
海蔚化学86-21-51086038 · [email protected]
Aladdin Scientific[email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
常州翔龙医药科技有限公司18661161657 · [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]
常州润芊生物科技有限公司15061933924 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
LY Global chemicals co.,ltd .+86-1837154342 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-15350571055 · [email protected]

추가 설명

정의ChEBI: A dichlorobiphenyl carrying chloro groups at positions 4 and 4' respectively.