기본 정보
- CAS
12671-74-8- 표준 SMILES
CCCCCCCCCCCCCCCCCCn1c(=O)c2ccc3sc4ccccc4c4ccc(c1=O)c2c34- InChIKey
YDQLECBCTASDOZ-UHFFFAOYSA-N- 분자식
- C36H45NO2S
- 평균 분자량
- 555.8 g/mol
- 단동위원소 질량
- 555.31710068
개요
See also: C.I. Solvent Yellow 98 (annotation moved to).
이름 및 식별자
- 우선 이름
- 2-octadecyl-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione
- IUPAC
- 14-octadecyl-8-thia-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaene-13,15-dione
- 영어명
- Solvent Yellow 98
- 분자식
- C36H45NO2S
- 분자량
- 555.82
이름 및 동의어
Solvent Yellow 982-Octadecyl-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione1H-Thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione, 2-octadecyl-27870-92-4EINECS 248-702-8EC 248-702-81h-thioxantheno2,1,9-defisoquinoline-1,3(2h)-dione, 2-octadecyl-2-Octadecyl-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione1H-Thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione, 2-octadecyl-RefChem:477280DTXSID301015764248-702-8
이름 더 보기
Yellow FRLPolysolve Yellow 98Rosaplast Yellow FSG.C.I.Solvent Yellow 98FLUORESCENCE YELLOW 3GF12671-74-8 Solvent Yellow 98Fluorescent Solvent Yellow 3G
12671-74-8Fluorescent Yellow 3Gsolvent yellow 98 (c.i. 56238)14-octadecyl-8-thia-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaene-13,15-dioneC.I. 56238MFCD00144314(27870-92-4) solvent yellow 981,9-def]isoquinoline-1,3(2h)-dione, 2-octadecyl-1h-thioxantheno[
물성
구조 계산 물성
- XLogP
- 12.8
- 극성 표면적
- 62.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 800
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 끓는 점
- 699.9 · 699.9±34.0 °C(Predicted)
- 밀도
- 1.118 · 1.118±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- -2.44 · -2.44±0.20(Predicted)
- InChIKey
- YDQLECBCTASDOZ-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C3C4C(SC5=C(C=4C=C2)C=CC=C5)=CC=C3C(=O)N1CCCCCCCCCCCCCCCCCC
- EPA
- 1 H-Thioxantheno[2,1,9-def]isoquinoline-1,3 · 1H-Thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione, 2-octadecyl- (12671-74-8)
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 97.9% (93 of 95) of all reports.
Not Classified
Aggregated GHS information provided per 95 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 1H-Thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione, 2-octadecyl-
REACH registered substance: 2-octadecyl-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione (EC: 248-702-8)
1H-Thioxantheno2,1,9-defisoquinoline-1,3(2H)-dione, 2-octadecyl-: 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
- tsca
- TSCA listed
- 기존화학 물질
- KE-26582
화학 및 산업
용도 및 제조
General Manufacturing Information1H-Thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione, 2-octadecyl-: ACTIVE
응용 분야
용도Solvent Yellow 98 is an organic dye and a component of photopolymer resins for luminescent three-dimensional printing.
제조 방법
4-Nitro[1.8]naphthalic anhydride with 2-Aminobenzenethioletherification, with Octadecanamine and amination, with Sodium nitrite diazotization, with Copper sulfate monohydrate closed loop, and then soda boiling.
상·하류 제품 정보
상류 원료
공급사84 곳
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
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