기본 정보
- 표준 SMILES
Brc1ccc(-c2ccccc2)cc1- InChIKey
PKJBWOWQJHHAHG-UHFFFAOYSA-N- 분자식
- C12H9Br
- 평균 분자량
- 233.1 g/mol
- 단동위원소 질량
- 231.98876239
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
이름 더 보기
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 물성
- 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
Physical Description
4-bromobiphenyl appears as colorless crystals. Insoluble in water. (NTP, 1992)
Colorless solid; [CAMEO] White crystalline solid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 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
안전 및 규제
GHS 분류
GHS Classification
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
Regulation (EC) No 178/2002 (amended)
S - indicates a substance that is identified in a final Significant New Use Rule.
Status: Active Update: 25-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32327
Restricted substance: 4-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: 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.
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
- 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
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
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)
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
하류 제품
공급사1 곳
관련 반응
연결된 노트
불러오는 중…