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4-브로모바이페닐

4-Bromobiphenyl

HCID 7101
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
92-66-0
표준 SMILES
Brc1ccc(-c2ccccc2)cc1
InChIKey
PKJBWOWQJHHAHG-UHFFFAOYSA-N
분자식
C12H9Br
평균 분자량
233.1 g/mol
단동위원소 질량
231.98876

개요

4-bromobiphenyl appears as colorless crystals. Insoluble in water. (NTP, 1992)

이름 및 식별자

우선 이름
4-Bromobiphenyl
IUPAC
1-bromo-4-phenylbenzene
현지명
4-브로모바이페닐
영어명
4-Bromobiphenyl
분자식
C12H9Br
분자량
233.1

이름 및 동의어

4-BROMOBIPHENYL92-66-04-Bromo-1,1'-biphenylp-Bromobiphenyl1-bromo-4-phenylbenzene4-Bromodiphenylp-Bromodiphenyl4-Biphenyl bromide1,1'-Biphenyl, 4-bromo-p-PhenylbromobenzeneBiphenyl, 4-bromo-4-Biphenylyl bromide
이름 더 보기
4-브로모바이페닐4-브로모비페닐pbb 3The broMine biphenyl1,1’-(biphenyl,-bromo-4-BROMOBIPHENYL PESTANAL, 250 MG4-Br-BPPBB NO 3
p-Biphenylyl bromidep-Phenylphenyl bromide(4-Bromophenyl)benzeneDTXSID4024640OE77OKH5BLNSC-406933DTXCID804640RefChem:98187

데이터베이스 식별자

CAS
92-66-0
PubChem CID
7101
DTXSID
DTXSID4024640
ChEMBL
CHEMBL1399688
UNII
OE77OKH5BL
EC Number
202-176-6
Nikkaji
J95.604J

물성

구조 계산 물성보충 중

XLogP
4.7
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
1
무거운 원자 수
13
형식 전하
0
복잡도
141

실험 및 물리화학적 성질

PolymersOther Classes -> Halogenated Polyaromatics
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP4.96
Density0.9327 (NTP, 1992) - Less dense than water; will float
SolubilityInsoluble (NTP, 1992)
Flash Point290 °F (NTP, 1992)
Boiling Point590 °F at 760 mmHg (NTP, 1992)
Melting Point196.2 °F (NTP, 1992)
Physical Description · 2건

4-bromobiphenyl appears as colorless crystals. Insoluble in water. (NTP, 1992)

Colorless solid; [CAMEO] White crystalline solid; [Sigma-Aldrich MSDS]

Collision Cross Section136.7 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]

물리화학적 성질

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 4% (2 of 50) of reports.

Danger

H302 (92%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, 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 50 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Regulation (EC) No 178/2002 (amended)

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

REACH registered substance: 4-bromobiphenyl (EC: 202-176-6)

Restricted substance: 4-bromobiphenyl

DOT LabelClass 9
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Hazards SummaryAn irritant that may cause serious eye injury; Harmful by ingestion; [Sigma-Aldrich MSDS] See Polybrominated biphenyls.
Reactive GroupAryl Halides
Reactivity Profile4-BROMOBIPHENYL may be sensitive to light. This compound can react with oxidizing materials. (NTP, 1992)
Air and Water ReactionsInsoluble in water.

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 · 2건

Used in chemical synthesis; [NTP]

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-bromo-: ACTIVE

응용 분야

용도4-Bromobiphenyl is used as halogenated hydrocarbon and Intermediates of Liquid Crystals. It is also used in used in the synthesis of 4-biphenylthiolate.

일반 설명Colorless crystals. Insoluble in water.

상·하류 제품 정보

상류 원료

PotassiuM iodide starch pa비페닐덱스트린

관련 반응

132건
반응 기록 만들기
HRID 47177 반응식
HRID 47177반응물로uspto-grants-2004_03
HRID 84345 반응식
HRID 84345반응물로uspto-grants-2014_09
HRID 120089 반응식
HRID 120089반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 120230 반응식
HRID 120230반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 143268 반응식
HRID 143268반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 174515 반응식
HRID 174515반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 174858 반응식
HRID 174858반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 251770 반응식
HRID 251770반응물로uspto-grants-2011_01
1 / 17 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
녹는점
82 · 82-86 °C(lit.)
끓는 점
310 °C · 310 °C(lit.)
밀도
0.9327 · 0.9327
굴절률
1.6565 · 1.6565 (estimate)
인화점
143 °C · 143 °C
저장 조건
Sealed in dry,Room Temperature
용해도
1 g/10mL, · 디옥산: 가용성 1g/10mL, 투명, 무색에서 매우 희미한 노란색
물리적 상태
플레이크 크리스탈
색상
거의 흰색에서 약간 노란색
수용성
불용성
BRN
1907453 · 1907453
Henry's Law Constant
6 · 6.0×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010)
안정성
안정적인. 산화제와 호환되지 않습니다.
InChI
1S/C12H9Br/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKey
PKJBWOWQJHHAHG-UHFFFAOYSA-N
SMILES
Brc1ccc(cc1)-c2ccccc2
NIST
1 · 1,1'-Biphenyl, 4-bromo-(92-66-0)
EPA
4 · 4-Bromobiphenyl (92-66-0)

화학적 성질

White powder

Hazard Classes and Categories
Acute Tox. 4 (92%)

안전 및 보호

Fire FightingFires involving this material should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Minimum Risk LevelAcute Oral: 0.01 mg/kg/day (L134)
Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

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)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
DV1750100
ridadr
UN 3152 9/PG 2
HS 번호
29036990
risk_code
36/37/38-50/53-41-37/38-22
hazard_code
Xi,N,Xn
safety_code
22-24/25-37/39-26-61-60-39
포장분류
Ⅲ
위험 등급
IRRITANT
기존화학 물질
KE-03626
Hazard Classifications
Acute Tox. 4 OralAquatic Acute 1Eye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스
11 - Combustible Solids
4-브로모아닐린
Triphenylindium
1-(4-bromo-phenyl)-cyclohexanol
4-Bromophenylboronic acid
4-BROMOBENZENEDIAZONIUM TETRAFLUOROBORATE
트리뷰틸페닐틴
1-Bromo-4-iodobenzene
벤젠디아조늄,테트라플루오로보레이트

하류 제품

1-(4'-Bromobiphenyl-4-yl)-3-phenylpropenone브로마디올론브로디파쿰4- 요오드 비 페닐4-Biphenylboronic acidN-[1,1'-비페닐]-4-일-9,9-디메틸-9H-플루오렌-2-아민4-에티닐-4'-펜틸-1,1'-비페닐4-(4-비페닐릴)부티르산4,4'-디페닐벤조페논