기본 정보
- CAS
67075-37-0- 표준 SMILES
O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1CCc1ccccc1)c64)C(=O)N(CCc1ccccc1)C5=O- InChIKey
IIKSFQIOFHBWSO-UHFFFAOYSA-N- 분자식
- C40H26N2O4
- 평균 분자량
- 598.6 g/mol
- 단동위원소 질량
- 598.18925731
이름 및 식별자
- 우선 이름
- Anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(2-phenylethyl)-
- IUPAC
- 7,18-bis(2-phenylethyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
- 현지명
- N,N'-DI(2-PHENYLETHYL)-PERYLENE-TETRACARBONICACID,아미드
- 영어명
- N,N'-Di(2-phenylethyl)-perylene-tetracarbonic acid, amide
- 분자식
- C40H26N2O4
- 분자량
- 598.65
이름 및 동의어
67075-37-0Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(2-phenylethyl)-EINECS 266-564-7EC 266-564-72,9-Bis(2-phenylethyl)anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetroneDTXSID60704852,9-bis(2-phenylethyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetroneAnthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(2-phenylethyl)-RefChem:558182DTXCID5044863266-564-7PEPTC
이름 더 보기
N,N'-DI(2-PHENYLETHYL)-PERYLENE-TETRACARBONICACID,아미드PERYLENE BLACK2-phenylethyl)-Pigment Black 31Paliogen Black-S0084C.I. Pigment Black 31Paliogen Black L-0084Pigment black 31 (C.I. 71132)N,N'-Diphenethyl-3,4:9,10-perylenebis(dicarbimide)N,N'-Diphenethylperylene-3,4:9,10-bis(dicarbimide)
물성
구조 계산 물성
- XLogP
- 7.6
- 극성 표면적
- 74.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,070
실험 및 물리화학적 성질
Physical DescriptionCBI
물리화학적 성질
- 녹는점
- 415 · 415-420°C
- 밀도
- 1.428 · 1.428±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- -2.34 · -2.34±0.20(Predicted)
- 물리적 상태
- solid
- InChIKey
- IIKSFQIOFHBWSO-UHFFFAOYSA-N
- SMILES
- O=C1N(CCc2ccccc2)C(=O)c3ccc4c5ccc6C(=O)N(CCc7ccccc7)C(=O)c8ccc(c9ccc1c3c49)c5c68
- LogP
- 1.93 at · 1.93 at 20℃
- EPA
- 2 · Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(2-phenylethyl)- (67075-37-0)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 99.1% (114 of 115) of all reports.
Not Classified
Aggregated GHS information provided per 115 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(2-phenylethyl)-
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(2-phenylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(2-phenylethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 2,9-bis(2-phenylethyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone (EC: 266-564-7)
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(2-phenylethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- 기존화학 물질
- 2015-3-6564
- 스토리지 클래스
- 13 - Non Combustible Solids
화학 및 산업
용도 및 제조
U.S. Production2023: <50,000 lb
Consumer UsesPigment
Industry UsesPigment
General Manufacturing Information
Printing Ink Manufacturing
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(2-phenylethyl)-: ACTIVE
응용 분야
용도Used as an n-type semiconducting material in organic and printed electronics.
일반 설명1,3,8,10(2H,9H)-Tetraone, 2,9-bis(2-phenylethyl)anthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline (PEPTC) is an n-type small molecular organic semiconducting material. They are most commonly used in organic thin film transistors (OTFT) and also in solution processed organic photovoltaic cells (OPV). They have a well-defined structure and do not show any molecular weight dependence, leading to high purity and ease of processability.
공급사26 곳
杭州奥得科技有限公司0571-88772972-0 15057128248 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]
Aladdin Scientific[email protected]
湖北威德利化学试剂有限公司17771473825 13385289472 · [email protected]
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