기본 정보
- 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
이름 더 보기
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 물성
- 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
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
- 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
안전 및 규제
GHS 분류
GHS Classification
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
S - indicates a substance that is identified in a final Significant New Use Rule.
Restricted substance: 3-bromobiphenyl
안전 및 보호
First Aid
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
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.
Personal Protective Equipment (PPE)
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
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.
Toxicity Summary
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)
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
화학 및 산업
약리 정보
Metabolism/Metabolites
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
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
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
공급사50 곳
추가 설명
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.
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