기본 정보
- CAS
59442-38-5- 표준 SMILES
CCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCC)C5=O- InChIKey
GEIYCUVJOKJQPO-UHFFFAOYSA-N- 분자식
- C30H22N2O4
- 평균 분자량
- 474.5 g/mol
- 단동위원소 질량
- 474.15795719
이름 및 식별자
- 우선 이름
- 2,9-Dipropyl-anthra2,1,9-def:6,5,10-d'e'f'diisoquinoline-1,3,8,10-tetrone
- IUPAC
- 7,18-dipropyl-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
- 2,9-디프로필-안트라2,1,9-def:6,5,10-d'e'f'디이소퀴놀린-1,3,8,10-테트론
- 영어명
- 2,9-Dipropyl-anthra2,1,9-def:6,5,10-d'e'f'diisoquinoline-1,3,8,10-tetrone
- 분자식
- C30H22N2O4
- 분자량
- 474.51
이름 및 동의어
59442-38-52,9-Dipropyl-anthra2,1,9-def:6,5,10-d'e'f'diisoquinoline-1,3,8,10-tetrone2,9-Dipropyl-anthra2,1,9-def:6,5,10-defdiisoquinoline-1,3,8,10-tetrone7,18-dipropyl-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-tetroneSCHEMBL8680446C30H22N2O4JCA44238HS-87022,9-Dipropylanthra[2,1,9-def:6,5,10-D?E?F?]diisoquinoline-1,3,8,10(2H,9H)tetrone2,9-Dipropyl-anthra2,1,9-def:6,5,10-defdiisoquinoline-1,3,8,10-tetrone;2,9-Dipropylanthra[2,1,9-def:6,5,10-d inverted exclamation markae inverted exclamation markaf inverted exclamation marka]diisoquinoline-1,3,8,10(2H,9H)tetrone;Bis(n-propylimido)perylene;PDI-C3;Perylene-3,4,9,10-tetracarboxylic acid bis(propylimide);2,9-Dipropyla2,9-Dipropyl-anthra2,1,9-def:6,5,10-defdiisoquinoline-1,3,8,10-tetrone;2,9-Dipropylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)tetrone;Bis(n-propylimido)perylene;PDI-C3;Perylene-3,4,9,10-tetracarboxylic acid bis(propylimide);2,9-Dipropyla
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 74.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 847
물리화학적 성질
- 녹는점
- 300 °C · >300°C
- 물리적 상태
- solid
- InChI
- 1S/C30H22N2O4/c1-3-13-31-27(33)19-9-5-15-17-7-11-21-26-22(30(36)32(14-4-2)29(21)35)12-8-18(24(17)26)16-6-10-20(28(31)34)25(19)23(15)16/h5-12H,3-4,13-14H2,1-2H3
- InChIKey
- GEIYCUVJOKJQPO-UHFFFAOYSA-N
- SMILES
- CCCN1C(=O)c2ccc3c4ccc5C(=O)N(CCC)C(=O)c6ccc(c7ccc(C1=O)c2c37)c4c56
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도High electron transporting character; Perylenebis(dicarboximide)s (PDIs) can be used as air-stable n-type semiconductor materials for organic fieldeffect transistors (OFETs);Excellent candidates as electron accepting building blocks for organic photovoltaics (OPVs).
일반 설명2,9-Dipropylanthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-1,3,8,10(2H,9H)tetrone belongs to the class of perylenebis(dicarboximide) (PDI) that has an electron transporting character. It can be used as an air-stable n-type semiconductor material in organic field effect transistors. It can also be used as an acceptor molecule in organic photovoltaics.
공급사6 곳
杭州奥得科技有限公司0571-88772972-0 15057128248 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
贵州禾锡生物科技有限公司18786102937 18786102937 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
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