기본 정보
- CAS
67923-45-9- 표준 SMILES
N#CSc1cccc(N2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(c2cccc(SC#N)c2)C6=O)c1- InChIKey
AXMXHZAKIVTXGG-UHFFFAOYSA-N- 분자식
- C38H16N4O4S2
- 평균 분자량
- 656.7 g/mol
- 단동위원소 질량
- 656.06129735
이름 및 식별자
- 우선 이름
- Thiocyanic acid, C,C'-[(1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-2,9-diyl)di-3,1-phenylene] ester
- IUPAC
- [3-[6,8,17,19-tetraoxo-18-(3-thiocyanatophenyl)-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-decaen-7-yl]phenyl] thiocyanate
- 영어명
- [1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-2,9-diyl]di-m-phenylene bis(thiocyanate)
- 분자식
- C38H16N4O4S2
- 분자량
- 656.69
이름 및 동의어
EINECS 267-761-067923-45-9Thiocyanic acid, (1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-2,9-diyl)di-3,1-phenylene esterThiocyanic acid, C,C'-((1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-2,9-diyl)di-3,1-phenylene) esterThiocyanic acid, (1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-2,9-diyl)di-3,1-phenylene esterThiocyanic acid, C,C'-[(1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-2,9-diyl)di-3,1-phenylene] esterRefChem:189484[3-[6,8,17,19-tetraoxo-18-(3-thiocyanatophenyl)-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-decaen-7-yl]phenyl] thiocyanate[1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-2,9-diyl]di-m-phenylene bis(thiocyanate)(1,3,8,10-Tetrahydro-1,3,8,10-tetraoxoanthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-2,9-diyl)di-m-phenylene bis(thiocyanate)
물성
구조 계산 물성
- XLogP
- 7.9
- 극성 표면적
- 173 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,320
물리화학적 성질
- 밀도
- 1.69 · 1.69
- 산도 계수 (pKa)
- 1.09 · 1.09±0.20(Predicted)
- EPA
- 1 · Thiocyanic acid, (1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-2,9-diyl)di-3,1-phenylene ester (67923-45-9)
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 100% (6 of 6) of all reports.
Not Classified
Aggregated GHS information provided per 6 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationChemical: Thiocyanic acid, C,C'-[(1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-2,9-diyl)di-3,1-phenylene] ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-33782
화학 및 산업
용도 및 제조
General Manufacturing InformationThiocyanic acid, C,C'-[(1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-2,9-diyl)di-3,1-phenylene] ester: INACTIVE
공급사4 곳
Alfa Chemistry1-516-6625404 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
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