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3-Bromobiphenyl

HCID 16449
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
2113-57-7
표준 SMILES
Brc1cccc(-c2ccccc2)c1
InChIKey
USYQKCQEVBFJRP-UHFFFAOYSA-N
분자식
C12H9Br
평균 분자량
233.1 g/mol
단동위원소 질량
231.98876239

개요

3-bromobiphenyl is a clear yellow viscous liquid. Insoluble in water. (NTP, 1992)

이름 및 식별자

우선 이름
3-Bromobiphenyl
IUPAC
1-bromo-3-phenylbenzene
영어명
3-Bromobiphenyl
분자식
C12H9Br
분자량
233.1

이름 및 동의어

3-BROMOBIPHENYL3-Bromo-1,1'-biphenyl1,1'-Biphenyl, 3-bromo-Biphenyl, 3-bromo-3-BromodiphenylDTXSID5024639CCRIS 5889O7I53K56S8EINECS 218-304-9WLN: ER CRBROMOBIPHENYL, 3-NSC 407775
이름 더 보기
PBB NO 2218-304-93-BROMOBIPHNYL3-bromo-biphenym-Bromobiphenyl3-Xenyl bromide
NSC-407775PBB 2UNII-O7I53K56S8AI3-11169DTXCID104639(1,1'-BIPHENYL)-3-YL BROMIDE[1,1'-BIPHENYL]-3-YL BROMIDE3-Monobromobiphenyl

데이터베이스 식별자

CAS
2113-57-7
PubChem CID
16449
DTXSID
DTXSID5024639
ChEMBL
CHEMBL1899525
UNII
O7I53K56S8
EC Number
218-304-9
Nikkaji
J41.832C

물성

구조 계산 물성보충 중

XLogP
4.6
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
149

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP4.85
SolubilityInsoluble (NTP, 1992)
Boiling Point570 to 574 °F at 760 mmHg (NTP, 1992)
Physical Description3-bromobiphenyl is a clear yellow viscous liquid. Insoluble in water. (NTP, 1992)

물리화학적 성질

녹는점
93 · 93-94 °C
끓는 점
300 °C · 300 °C
밀도
1.398 g/mL · 1.398 g/mL at 25 °C(lit.)
굴절률
1.637 · 1.637-1.641
인화점
110 °C · 110 °C
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
용해도
클로로포름(에 용해됨), DMSO(약간 용해됨)
물리적 상태
액체
색상
연한 노란색에서 회색 베이지까지
수용성
불용성

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 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: 3-bromobiphenyl

Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Reactive GroupAryl Halides
Reactivity Profile3-BROMOBIPHENYL may be sensitive to light. This compound may react with oxidizing materials. (NTP, 1992)
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 및 보호

Fire FightingFires involving this material can be controlled with 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.

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, 3-bromo-: ACTIVE

응용 분야

용도3-Bromobiphenyl is utilized as an electrochemical immunosensor based on poly(dopamine) coated gold nanocluster for brominated flame retardants.

일반 설명Clear yellow viscous liquid. Insoluble in water.

상·하류 제품 정보

하류 제품

Biphenyl-3-boronic acid3-PHENYLBENZENESULFONYL CHLORIDEN-페닐-3-비페닐라민

관련 반응

78건
반응 기록 만들기
HRID 23126 반응식
HRID 23126반응물로uspto-grants-2005_02
HRID 39608 반응식
HRID 39608반응물로uspto-grants-2013_09
HRID 78046 반응식
HRID 78046반응물로uspto-grants-2014_09
HRID 133212 반응식
HRID 133212반응물로uspto-grants-2008_06
HRID 152129 반응식
HRID 152129반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 202277 반응식
HRID 202277반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 209710 반응식
HRID 209710반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 248136 반응식
HRID 248136생성물로uspto-grants-1993_05
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화합물 노트

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
Merck
14 · 14,4188
BRN
2043191 · 2043191
InChIKey
USYQKCQEVBFJRP-UHFFFAOYSA-N
NIST
1 · 1,1'-Biphenyl, 3-bromo-(2113-57-7)
EPA
3 · 3-Bromobiphenyl (2113-57-7)

화학적 성질

Colorless to pale yellow liquid

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed 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.

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
DV1750000
독성
mouse,LDLo,intraperitoneal,500mg/kg (500mg/kg),"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 217, 1954.
HS 번호
29039990
risk_code
36/37/38
hazard_code
Xi
safety_code
37/39-26-36
기존화학 물질
2017-3-7218
3-페닐벤질아민
비페닐-3-YL-하이드라진염산염
2-(4-바이페닐일)-4,6-디클로로-1,3,5-트리아진
3-(Bromomethyl)biphenyl
추가 설명 · 1건

정의T3DB: 3-Monobromobiphenyl 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.