9-브로 모-10-phenylanthracene

9-Bromo-10-phenyl-anthracene

HCID 4155836CAS 23674-20-6

부분 구조 검색 유사 구조 찾기

기본 정보

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 물성

XLogP: 6.7
극성 표면적: 0 Å²
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

GHS 분류

GHS Classification · 4건

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 · 2건

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 · 1건

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