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4,4'-디브로모바이페닐

4,4'-Dibromobiphenyl

HCID 7110
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
92-86-4
표준 SMILES
Brc1ccc(-c2ccc(Br)cc2)cc1
InChIKey
HQJQYILBCQPYBI-UHFFFAOYSA-N
분자식
C12H8Br2
평균 분자량
312 g/mol
단동위원소 질량
309.89928

개요

4,4'-Dibromobiphenyl 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
4,4'-Dibromobiphenyl
IUPAC
1-bromo-4-(4-bromophenyl)benzene
현지명
4,4'-디브로모바이페닐
영어명
4,4'-Dibromobiphenyl
분자식
C12H8Br2
분자량
312

이름 및 동의어

4,4'-DIBROMOBIPHENYL92-86-41,1'-Biphenyl, 4,4'-dibromo-1-bromo-4-(4-bromophenyl)benzenep,p'-Dibromobiphenyl4,4'-DibromodiphenylPBB 15Biphenyl, 4,4'-dibromo-NSC-2098POU26V2XT2RefChem:96236202-198-6
이름 더 보기
4,4'-디브로모바이페닐4,4'-디브로모비페닐PPDBrHFNG4,4’PBB NO 15-Bis(4”cis-(±PBB-No. 15 10Mtrans-(±
4,4-Dibromobiphenyl4,4'-Dibromo-1,1'-biphenyl4',4-dibromobiphenylMFCD00000101CHEMBL8166PBB No. 15ZINC3885014,4'-Dibromobiphenyl (PBB 15)

데이터베이스 식별자

CAS
92-86-4
PubChem CID
7110
DTXSID
DTXSID1059072
ChEMBL
CHEMBL8166
UNII
POU26V2XT2
EC Number
202-198-6
Nikkaji
J79.439B

물성

구조 계산 물성

XLogP
5.7
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

PolymersOther Classes -> Halogenated Polyaromatics
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP5.72
Vapor Pressure0.0000246 [mmHg]
Physical DescriptionWhite powder; [Alfa Aesar MSDS]
Collision Cross Section147.8 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]

물리화학적 성질

녹는점
163 · 163-165 °C(lit.)
끓는 점
355 · 355-360 °C(lit.)
밀도
1.7243 · 1.7243 (estimate)
굴절률
1.6 · 1.6000 (estimate)
인화점
355 · 355-360°C
저장 조건
Sealed in dry,Room Temperature
물리적 상태
액체
색상
흰색에서 밝은 노란색-베이지색
수용성
불용성
BRN
2044701 · 2044701
InChI
InChI=1S/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
InChIKey
HQJQYILBCQPYBI-UHFFFAOYSA-N
SMILES
C1(C2=CC=C(Br)C=C2)=CC=C(Br)C=C1
NIST
1 · 1,1'-Biphenyl, 4,4'-dibromo-(92-86-4)
EPA
1 · 1,1'-Biphenyl, 4,4'-dibromo- (92-86-4)

화학적 성질

White powder

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 3.8% (2 of 53) of reports.

Danger

H302 (88.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

S - indicates a substance that is identified in a final Significant New Use Rule.

Restricted substance: 4,4'-dibromobiphenyl

Other Safety InformationPEC / SN / Other assessments - Polybrominated flame retardants (PBFRs): Health and Environment
Hazards SummaryInduces drug metabolism enzymes. [ChemIDplus] A skin and strong eye irritant; [Alfa Aesar MSDS] See Polybrominated biphenyls.
Hazard Classes and CategoriesAcute Tox. 4 (88.7%)

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)
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
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)

안전 데이터

wgk
1
tsca
TSCA listed
ridadr
3152
HS 번호
29036990
risk_code
36/37/38-37/38-36-40-50/53-41-22-67-52/53
hazard_code
Xi,Xn,N
safety_code
37/39-26-37-36/37-61-60-39-36/37/39
포장분류
II
위험 등급
9

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)

General Manufacturing Information1,1'-Biphenyl, 4,4'-dibromo-: ACTIVE

응용 분야

용도4,4'-Dibromobiphenyl is commonly used as fire retardants and plasticizers. It is also have application in gas chromatography and liquid chromatography analysis.

상·하류 제품 정보

상류 원료

비스(4-브로모페닐)아민1,2-비스(4-브로모페닐)디아젠4-Bromobenzenediazonium tetrafluoroborate

하류 제품

2,7-DIBROMO-9H-카바졸Methyl 4'-bromo[1,1'-biphenyl]-4-carboxylate피리딘,4,4'-[1,1'-비페닐]-4,4'-DIYLBIS-Biphenyl-4,4'-dithiol4 4'-Bis(triethoxysilyl)-1 1'-biphenyl4-Bromo-4'-methylbiphenyl2,7-Dibromo-N-phenylcarbazole4,4'-디에티닐비페닐4,4'-디비닐비페닐N,N'-비스(나프탈렌-2-일)-N,N'-비스(페닐)벤지딘1,1'-Binaphthyl4,4'-Biphenyldicarboxaldehyde4-BROMO-4′-(디페닐아미노)비페닐

관련 반응

45건
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