기본 정보
- 표준 SMILES
Oc1ccc(-c2ccc(Br)cc2)cc1- InChIKey
ARUBXNBYMCVENE-UHFFFAOYSA-N- 분자식
- C12H9BrO
- 평균 분자량
- 249.1 g/mol
- 단동위원소 질량
- 247.98367701
이름 및 식별자
- 우선 이름
- 4-Bromo-4'-hydroxybiphenyl
- IUPAC
- 4-(4-bromophenyl)phenol
- 영어명
- 4-Bromo-4'-hydroxybiphenyl
- 분자식
- C12H9BrO
- 분자량
- 249.1
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
29558-77-8- PubChem CID
- 95093
- DTXSID
DTXSID40183740- UNII
- FW4M61S0BB
- EC Number
- 608-376-3
- Nikkaji
- J22.011F
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 167
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 164 · 164-166 °C(lit.)
- 끓는 점
- 355.5 · 355.5±17.0 °C(Predicted)
- 밀도
- 1.4188 · 1.4188 (rough estimate)
- 굴절률
- 1.513 · 1.5130 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 9.7 · 9.70±0.15(Predicted)
- 색상
- 흰색에서 거의 흰색
- 수용성
- 물(일부) 및 메탄올에 용해됩니다.
- InChI
- InChI=1S/C12H9BrO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,14H
- InChIKey
- ARUBXNBYMCVENE-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=C(Br)C=C2)=CC=C(O)C=C1
화학적 성질
White or cream powder
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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
안전 데이터
- wgk
- 3
- HS 번호
- 29081990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
화학 및 산업
응용 분야
용도A biphenyl starting material. 4-Bromo-(1,1-biphenyl)-4-ol is a useful intermediate. Vinylation of 4-bromo-4-hydroxybiphenyl and ethyl acrylate using Pd (OAc) 2/PPh 3 catalyst was studied. Ethyl 4-(4-hydroxyphenyl) cinnamate was formed as the vinylation product, while, 4-hydroxybiphenyl and ethyl cinnamate were formed as side products. Preparation of 4-cyano-4'-hydroxybiphenyl This was prepared from 4-bromo-4'-benzenesulphonyloxybiphenyl by first hydrolysing it to 4-bromo-4-hydroxybiphenyl using sodium hydroxide dissolved in a mixture of water and dioxan. The syntheses of the Nanocomposite dendrimers based on cyclic phosphazene cores: Amorphous materials, were accomplished by following a modified literature procedure by reacting phosphonitrilic chloride trimer with 4-bromophenol or 4-bromo-4-hydroxybiphenyl, respectively, in the presence of K 2 CO 3 in tetrahydrofuran (THF).
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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