기본 정보
- 표준 SMILES
c1ccc(-c2c3ccccc3cc3ccccc23)cc1- InChIKey
LUBXLGUQZVKOFP-UHFFFAOYSA-N- 분자식
- C20H14
- 평균 분자량
- 254.3 g/mol
- 단동위원소 질량
- 254.10955045
이름 및 식별자
- 우선 이름
- 9-Phenylanthracene
- IUPAC
- 9-phenylanthracene
- 현지명
- 9- 페닐 안트라센
- 영어명
- 9-phenylanthracene
- 분자식
- C20H14
- 분자량
- 254.33
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
602-55-1- PubChem CID
- 11766
- DTXSID
DTXSID3075254- UNII
- DC63Z5S1UP
- EC Number
- 210-019-8
- Nikkaji
- J79.700F
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 292
실험 및 물리화학적 성질
Kovats Retention Index
395.5
2374;2469.1;406.47;406.47;406.9;394.37;401.8;396.05;396.38;396.38
물리화학적 성질
- 녹는점
- 153 · 153-155 °C (lit.)
- 끓는 점
- 417 °C · 417 °C (lit.)
- 밀도
- 1.118 · 1.1180 (estimate)
- 굴절률
- 1.704 · 1.7040 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 미색부터 옅은 갈색까지
- BRN
- 1910570 · 1910570
- InChI
- InChI=1S/C20H14/c1-2-8-15(9-3-1)20-18-12-6-4-10-16(18)14-17-11-5-7-13-19(17)20/h1-14H
- InChIKey
- LUBXLGUQZVKOFP-UHFFFAOYSA-N
- SMILES
- C1=C2C(C=C3C(=C2C2=CC=CC=C2)C=CC=C3)=CC=C1
- EPA
- 9 · Anthracene, 9-phenyl- (602-55-1)
화학적 성질
Pale Yellow Plates
안전 및 규제
GHS 분류
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
안전 데이터
- wgk
- 3
- ridadr
- UN 3077 9/PG 3
- HS 번호
- 29029090
- risk_code
- 50/53
- hazard_code
- N
- safety_code
- 60-61
- 위험 등급
- 9
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도9-Phenylanthracene is used to synthesize organic light-emitting material intermediates.
제조 방법
The synthesis of 9-phenylanthracene involved mixing phenylboronic acid (2.13 g, 17.49 mmol), 9-bromoanthracene (3 g, 11.66 mmol), Pd(PPh3)4 (140 mg, 0.12 mmol), K2CO3 (16 mL, 2 M), and ethanol (8 mL) in a 100 mL flask with anhydrous toluene (32 mL). The mixture was refluxed for 48 h under nitrogen. After cooled to room temperature, the reaction mixture was quenched with dilute hydrochloric acid solution and extracted with CH2Cl2. The organic extracts were dried over anhydrous MgSO4 and concentrated by rotary evaporation. The crude product was further purified by silica gel column chromatography (CH2Cl2/petroleum ether (1:4,v/v)) to get a white powder (2.43 g, 81.9 %). 1H NMR (500 MHz, CDCl3) δ 8.53 (s, 1H), 8.08 (d, J = 8.5 Hz, 2H), 7.70 – 7.67 (m, 2H), 7.63 – 7.54 (m, 3H), 7.50 – 7.45 (m, 4H), 7.37 (ddd, J = 8.7, 6.5, 1.2 Hz, 2H). EI-MS (m/z): Calculated for C20H14: 254.33. Found [M+]: 253.02.Synthesis of 9-phenylanthracene
상·하류 제품 정보
상류 원료
공급사50 곳
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