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2,2′,4,4′,6,6′-헥사브로모비페닐

2,2',4,4',6,6'-Hexabromobiphenyl

HCID 93322
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
59261-08-4
표준 SMILES
Brc1cc(Br)c(-c2c(Br)cc(Br)cc2Br)c(Br)c1
InChIKey
LNFYSRMCCKKDEH-UHFFFAOYSA-N
분자식
C12H4Br6
평균 분자량
627.6 g/mol
단동위원소 질량
621.54133

개요

2,2',4,4',6,6'-Hexabromobiphenyl is a polybrominated biphenyl. Polybrominated biphenyls (PBBs) are a group of 209 synthetic organic compounds with 1-10 bromine atoms attached to biphenyl. They can be used as flame retardants and may be added to the plastics used to make products like computer monitors, televisions, textiles, and plastic foams to make them difficult to burn. However, the use of PBBs is banned or restricted in most areas due to their toxicity and persistence in the environment. (L628, L629)

이름 및 식별자

우선 이름
2,2',4,4',6,6'-Hexabromobiphenyl
IUPAC
1,3,5-tribromo-2-(2,4,6-tribromophenyl)benzene
현지명
2,2′,4,4′,6,6′-헥사브로모비페닐
영어명
2,2',4,4',6,6'-HEXABROMOBIPHENYL
분자식
C12H4Br6
분자량
627.58

이름 및 동의어

2,2',4,4',6,6'-Hexabromobiphenyl59261-08-4PBB 1551,3,5-tribromo-2-(2,4,6-tribromophenyl)benzene642OIA2442NSC-1573121,1'-Biphenyl, 2,2',4,4',6,6'-hexabromo-DTXSID4074772RefChem:80622DTXCID50425862,2',4,4',6,6'-Hexabromo-1,1'-biphenylPBB-No. 155
이름 더 보기
2,2′,4,4′,6,6′-헥사브로모비페닐PBB NO 155C21015500 PBB-No. 155HexaBr PBB 2.2`.4.4`.6.6`-Hexabromobiphenyl
UNII-642OIA2442NSC157312PBB No. 155SCHEMBL11474986MSK6421LNFYSRMCCKKDEH-UHFFFAOYSA-NJCA26108MSK6421-100T

데이터베이스 식별자

CAS
59261-08-4
PubChem CID
93322
DTXSID
DTXSID4074772
UNII
642OIA2442
Nikkaji
J591.253I

물성

구조 계산 물성

XLogP
7.7
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
1
무거운 원자 수
18
형식 전하
0
복잡도
234

물리화학적 성질

녹는점
179 · 179-180 °C(Solv: hexane (110-54-3))
끓는 점
458.3 · 458.3±40.0 °C(Predicted)
밀도
2.492 · 2.492±0.06 g/cm3(Predicted)
용해도
클로로포름(약간 용해됨)
물리적 상태
고체
색상
하얀색
InChI
InChI=1S/C12H4Br6/c13-5-1-7(15)11(8(16)2-5)12-9(17)3-6(14)4-10(12)18/h1-4H
InChIKey
LNFYSRMCCKKDEH-UHFFFAOYSA-N
SMILES
C1(C2=C(Br)C=C(Br)C=C2Br)=C(Br)C=C(Br)C=C1Br
EPA
155 · PBB 155 (59261-08-4)

안전 및 규제

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

안전 및 보호

Minimum Risk LevelAcute Oral: 0.01 mg/kg/day (L134)

독성 정보

Treatment · 1건

EYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. INHALATION: supply fresh air. If required provide artificial respiration.

Health EffectsPBB exposure may cause weight loss, skin disorders (such as acne), nervous and immune systems effects, and effects on the liver, kidneys, and thyroid gland. (L628)
Exposure RoutesOral (L628) ; inhalation (L628) ; dermal (L628)
Toxicity Summary · 1건

The exact mechanism of toxicty of PBBs varies depending on the specific congener. The predominant interaction is believed to involve the aryl hydrocarbon receptor (AhR). PBBs bind to and activate the AhR, which in turn initiates the transcriptional upregulation of a number of genes, affecting biochemical and endocrine pathways, cell cycle regulation, morphogenesis, oxidative stress response, and various other processes. This results in the numerous toxic responses characteristic of PBBs. Some of the known induced genes include the cytochrome P-450-dependent monooxygenases CYP1A1 and CYP1A2. (L628)

Signs and SymptomsSymptoms of PBB exposure may include nausea, abdominal pain, loss of appetite, joint pain, fatigue, and weakness. (L629)
Carcinogen Classification2A, probably carcinogenic to humans. (L135)

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

PBBs can be absorbed via oral, inhalation, and dermal routes. Due to their lipophilic nature, PBBs, especially the highly brominated congeners, tend to accumulate in lipid-rich tissues such as the liver, adipose, skin, and breast milk. Certain PBB compounds are metabolized by the microsomal monooxygenase system catalyzed by cytochrome P-450 of the type induced by phenobarbital. The rate of metabolism may depends on the bromine substitution pattern. PBB congeners of low bromine content are transformed into hydroxylated derivatives that are predominately eliminated in the urine. Highly brominated congeners are either retained or excreted unchanged in the feces. (L628)

용도 및 제조

Uses · 1건

PBBs can be used as flame retardants and may be added to the plastics used to make products like computer monitors, televisions, textiles, and plastic foams to make them difficult to burn. However, the use of PBBs is banned or restricted in most areas due to their toxicity and persistence in the environment. (L628, L629)

상·하류 제품 정보

상류 원료

2,4,6-TRIBROMOIODOBENZENE1,3,5-트리브로모벤젠

공급사20 곳

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