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기본 정보
- CAS
550378-78-4- 표준 SMILES
c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1- InChIKey
MZYDBGLUVPLRKR-UHFFFAOYSA-N- 분자식
- C30H20N2
- 평균 분자량
- 408.5 g/mol
- 단동위원소 질량
- 408.16264865
이름 및 식별자
- 우선 이름
- 1,3-Bis(N-carbazolyl)benzene
- IUPAC
- 9-(3-carbazol-9-ylphenyl)carbazole
- 영어명
- 1,3-Bis(N-carbazolyl)benzene
- 분자식
- C30H20N2
- 분자량
- 408.49
이름 및 동의어
1,3-Bis(N-carbazolyl)benzeneRefChem:414039625-885-6550378-78-41,3-Di(9H-carbazol-9-yl)benzene1,3-Bis(carbazol-9-yl)benzene9-(3-carbazol-9-ylphenyl)carbazole9,9'-(1,3-PHENYLENE)BIS-9H-CARBAZOLEMFCD098368361,3-bis(9-carbazolyl)benzene1,3-Di-9-carbazolylbenzene1,3-Di-9-carbazolylbenzene (purified by sublimation)
이름 더 보기
9,9'9,9´9,9'-(1,3-Phenylene)1,3-Di(9H-carbazol-9-yl)1,3-Bi(carbazol-9-yl)benzeneN,N'-Dicarbazolyl-3,5-benzene
1,3-Bis(carbazol-9-yl)benzene;1,3-Di(9H-carbazol-9-yl)benzene9H-Carbazole, 9,9'-(1,3-phenylene)bis-SCHEMBL573911,3-Di(9-carbazolyl)benzeneSCHEMBL29612161,3-di(carbazol-9-yl)benzeneSCHEMBL18662882SCHEMBL28334939
데이터베이스 식별자
- CAS
550378-78-4- PubChem CID
- 22020377
- DTXSID
DTXSID90621607- EC Number
- 625-885-6
- Nikkaji
- J1.728.490H
물성
구조 계산 물성보충 중
- XLogP
- 8.1
- 극성 표면적
- 9.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 563
물리화학적 성질
- 녹는점
- 176 · 176-178°C
- 끓는 점
- 644.2 · 644.2±51.0 °C(Predicted)
- 밀도
- 1.21 · 1.21
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- powder to crystal
- 색상
- 흰색에서 거의 흰색
- InChI
- InChI=1S/C30H20N2/c1-5-16-27-23(12-1)24-13-2-6-17-28(24)31(27)21-10-9-11-22(20-21)32-29-18-7-3-14-25(29)26-15-4-8-19-30(26)32/h1-20H
- InChIKey
- MZYDBGLUVPLRKR-UHFFFAOYSA-N
- SMILES
- C1(N2C3=C(C=CC=C3)C3=C2C=CC=C3)=CC=CC(N2C3=C(C=CC=C3)C3=C2C=CC=C3)=C1
- Absorption
- 292 · λmax 292, 338 nm (in THF)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (97.6%)；STOT SE 3 (97.6%)
안전 데이터
- wgk
- 3
- HS 번호
- 29339900
- risk_code
- 37/38-41
- hazard_code
- Xi
- safety_code
- 26-36/37/39-41-37/38
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요1,3-Bis(N-carbazolyl)benzene, known as mCP, with a high triplet energy (ET = 2.91 eV) and a very deep highest occupiedmolecular orbital (HOMO) level, is often used as host materials for efficient blue phosphorescent light-emitting diodes. Kawamura et al. demonstrated that the photoluminescence internal quantum yield of the blue emitter of FIrpic could approach nearly 100% when doped into the wide energy gap host of mCP .
용도9,9'-(1,3-Phenylene)bis-9H-carbazole uses as a phosphorescent host material
공급사100 곳
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Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
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Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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