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2,2',3,3',4,4',5,5'-Octabromobiphenyl

HCID 119294
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
67889-00-3
표준 SMILES
Brc1cc(-c2cc(Br)c(Br)c(Br)c2Br)c(Br)c(Br)c1Br
InChIKey
HHYHNDNRLUQCEG-UHFFFAOYSA-N
분자식
C12H2Br8
평균 분자량
785.4 g/mol
단동위원소 질량
777.36234686

개요

2,2',3,3',4,4',5,5'-Octabromobiphenyl 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',3,3',4,4',5,5'-Octabromobiphenyl
IUPAC
1,2,3,4-tetrabromo-5-(2,3,4,5-tetrabromophenyl)benzene
영어명
octabromobiphenyl
분자식
C12H2Br8
분자량
785.38

이름 및 동의어

67889-00-32,2',3,3',4,4',5,5'-octabromobiphenyl1,2,3,4-tetrabromo-5-(2,3,4,5-tetrabromophenyl)benzeneC87IGK9D50RefChem:908466PBB 1942,2',3,3',4,4',5,5'-Octabromobiphenyl (PBB 194)UNII-C87IGK9D50SCHEMBL1352856DTXSID10987252MSK6429SCA88900
이름 더 보기
2,23,34,45,5OctabroMobiphenyl2,2',3,3',4,4',5,5'-Octabromodiphenylether1,1'-Biphenyl, 2,2',3,3',4,4',5,5'-octabromo-1,1'-Biphenyl, 2,2',3,3',4,4',5,5'-octabromo-2,2’,3,3’,4,4’,5,5’-Octabrombiphenyl in Iso-octane2,2 ', 3,3', 4,4 ', 5,5' - octabromobiphenyl (BB-194)
NS000504812,3,4,5,2',3',4',5'-OctabromobiphenylQ27275315

데이터베이스 식별자

CAS
67889-00-3
PubChem CID
119294
DTXSID
DTXSID10987252
UNII
C87IGK9D50

물성

구조 계산 물성

XLogP
9.1
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
1
무거운 원자 수
20
형식 전하
0
복잡도
307

실험 및 물리화학적 성질

Collision Cross Section193 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]

물리화학적 성질

녹는점
235 °C · 235 °C
끓는 점
533.3 · 533.3±45.0 °C(Predicted)
밀도
2.763 · 2.763±0.06 g/cm3(Predicted)
저장 조건
Refrigerator
용해도
Benzene (Sparingly), Chloroform (Slightly, Heated)
물리적 상태
고체
색상
흰색에서 황백색까지
InChI
InChI=1S/C12H2Br8/c13-5-1-3(7(15)11(19)9(5)17)4-2-6(14)10(18)12(20)8(4)16/h1-2H
InChIKey
HHYHNDNRLUQCEG-UHFFFAOYSA-N
SMILES
C1(C2=CC(Br)=C(Br)C(Br)=C2Br)=CC(Br)=C(Br)C(Br)=C1Br

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)

응용 분야 · 1건

용도2,2'',3,3'',4,4'',5,5''-Octabromobiphenyl is a polybrominated biphenyl compound that poses toxic dangers to animals, humans and the environment. 2,2'',3,3'',4,4'',5,5''-Octabromobiphenyl is also one of the components of Firemaster FF-1, a polybrominated biphenyl fire retardant.

공급사10 곳

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
江苏智芯廷科技有限公司18221391031 · [email protected]
上海艾梯西生物科技有限公司18721763493 · [email protected]

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