9-브로 모-10-phenylanthracene
9-Bromo-10-phenyl-anthracene
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기본 정보
- CAS
23674-20-6- 표준 SMILES
Brc1c2ccccc2c(-c2ccccc2)c2ccccc12- InChIKey
WHGGVVHVBFMGSG-UHFFFAOYSA-N- 분자식
- C20H13Br
- 평균 분자량
- 333.2 g/mol
- 단동위원소 질량
- 332.02006252
이름 및 식별자
- 우선 이름
- 9-Bromo-10-phenyl-anthracene
- IUPAC
- 9-bromo-10-phenylanthracene
- 현지명
- 9-브로 모-10-phenylanthracene
- 영어명
- 9-Bromo-10-phenylanthracene
- 분자식
- C20H13Br
- 분자량
- 333.22
이름 및 동의어
9-bromo-10-phenyl-anthraceneRefChem:549246621-755-89-bromo-10-phenylanthracene23674-20-6Anthracene, 9-bromo-10-phenyl-10-bromo-9-phenylanthraceneMFCD00230983C20H13Br9-bromo10-phenylanthracene9-Phenyl-10-bromanthracen9-bromo-10-(phenyl)anthracene
이름 더 보기
9-브로모-10-phenylanthracene9-Bromo-10-phenylAfatinib/Afatinib9-Bromo-10-phenylant9-bromo-10-phenylindole9-Bromo-1-phenylanthracene10-phenyl-9-BroMoanthracene9-bromo-10-phenylanthranceneAnthracene, 9-Bromo-10-phenyl
Anthracene, 9-Bromo-10-phenyl;9-Bromo-10-phenylanthraceneAMY8613SCHEMBL295397SCHEMBL2587092SCHEMBL27807385SCHEMBL30396122DTXSID60400022AKOS015912825
데이터베이스 식별자
- CAS
23674-20-6- PubChem CID
- 4155836
- DTXSID
DTXSID60400022- EC Number
- 621-755-8
- Nikkaji
- J548.828A
물성
구조 계산 물성보충 중
- XLogP
- 6.7
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 322
실험 및 물리화학적 성질
SpringerMaterials PropertiesAngular frequency
물리화학적 성질
- 녹는점
- 154 · 154-155 °C
- 끓는 점
- 449.7 · 449.7±14.0 °C(Predicted)
- 밀도
- 1.393 · 1.393
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 에 용해됨클로로포름, 메탄올 (약간 용해됨)
- 물리적 상태
- 가루
- 색상
- 옅은 노랑
- 수용성
- 물에 불용성. 뜨거운 톨루엔, 디메틸포름아미드에 용해됩니다.
- InChI
- InChI=1S/C20H13Br/c21-20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-13H
- InChIKey
- WHGGVVHVBFMGSG-UHFFFAOYSA-N
- SMILES
- C1=C2C(C(C3=CC=CC=C3)=C3C(=C2Br)C=CC=C3)=CC=C1
화학적 성질
Pale yellow powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
안전 데이터
- HS 번호
- 29039990
- safety_code
- 24/25
화학 및 산업
응용 분야
개요9-Bromo-10-phenylanthracene is a yellow-white solid powder that is commonly used as an organic synthesis intermediate.It is not soluble in water but can dissolve in dimethyl sulfoxide, N,N-dimethylformamide, and other polar solvents. It is also soluble in hot non-polar solvents due to its low polarity.
용도It is used as an OLED material.
제조 방법
9-Phenylanthracene (2.5g, 9.83mmol) and NBS (2.1g, 11.8mmol) were dissolved in 80mL CHCl3. Then the mixture was heated to 60°C for 2h under N2. After cooled to room temperature, 20 mL water was added. And the mixture was extracted with CH2Cl2. The organic extracts were dried over anhydrous MgSO4 and concentrated by rotary evaporation.The crude product was recrystallized from methanol to get a green-yellow powder (2g, 61.2%). 1H NMR (500 MHz, CDCl3) δ 8.67 – 8.61 (m, 2H), 7.71 – 7.65 (m, 2H), 7.64 – 7.56 (m, 5H), 7.45 – 7.37 (m, 4H). EI-MS (m/z): Calculated for C20H13Br: 333.22. Found [M+]: 332.30. Synthesis of 9-bromo-10-phenylanthracene
관련 반응
47건
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