기본 정보
- CAS
81-39-0- 표준 SMILES
Cc1ccc(Nc2ccc3c4c(cc(=O)n3C)-c3ccccc3C(=O)c24)cc1- InChIKey
VJUKWPOWHJITTP-UHFFFAOYSA-N- 분자식
- C24H18N2O2
- 평균 분자량
- 366.4 g/mol
- 단동위원소 질량
- 366.13682782
이름 및 식별자
- 우선 이름
- 3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione
- IUPAC
- 14-methyl-10-(4-methylanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione
- 현지명
- C.I. 용제 적 52
- 영어명
- Solvent Red 52
- 분자식
- C24H18N2O2
- 분자량
- 366.41
이름 및 동의어
Solvent Red 523H-Dibenz[f,ij]isoquinoline-2,7-dione, 3-methyl-6-[(4-methylphenyl)amino]-DTXSID10588423-Methyl-6-(p-toluidino)-3H-dibenz(f,ij)isoquinoline-2,7-dione3H-Naphtho[1,2,3-de]quinoline-2,7-dione, 3-methyl-6-[(4-methylphenyl)amino]-3-Methyl-6-(p-toluidino)-3H-dibenz[F,IJ]isoquinoline-2,7-dione3H-Dibenz(f,ij)isoquinoline-2,7-dione, 3-methyl-6-((4-methylphenyl)amino)-3H-Naphtho(1,2,3-de)quinoline-2,7-dione, 3-methyl-6-((4-methylphenyl)amino)-RefChem:504035DTXCID00481893H-Naphtho1,2,3-dequinoline-2,7-dione, 3-methyl-6-(4-methylphenyl)amino-201-346-7
이름 더 보기
C.I.용제적52C.I.용제적색52C.I.용제적색52Solvent red 52 (C.I. 68210)3-methyl-6-[(4-methylphenyl)amino]-3H-Dibenz[f,ij]isoquinoline-2,7-dioneC.I.68210abcol red 5bAmarsol Red 5BSOVLENT RED 52Keyplast Red 5BElbaplast Red 5B
81-39-03-Methyl-6-(p-toluidino)-3H-dibenz[f14-methyl-10-(4-methylanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dioneMFCD002724163-methyl-6-(p-tolylamino)-2H-naphtho[1,2,3-de]quinoline-2,7(3H)-dioneSolven Red 52KP Plast Red 58EINECS 201-346-7
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 49.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 678
물리화학적 성질
- 끓는 점
- 585 · 585.0±50.0 °C(Predicted)
- 밀도
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- 증기압
- 0 · 0-0Pa at 25℃
- 용해도
- 클로로포름(약간), 메탄올(약간), 피리딘(약간)에 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 0.46 · 0.46±0.20(Predicted)
- 색상
- 진한 보라색에서 검정색까지
- 수용성
- 750 · 750-2880900ng/L at 20-30℃
- InChI
- InChI=1S/C24H18N2O2/c1-14-7-9-15(10-8-14)25-19-11-12-20-22-18(13-21(27)26(20)2)16-5-3-4-6-17(16)24(28)23(19)22/h3-13,25H,1-2H3
- InChIKey
- VJUKWPOWHJITTP-UHFFFAOYSA-N
- SMILES
- N1(C)C2=C3C(C(=O)C4=C(C3=CC1=O)C=CC=C4)=C(NC1=CC=C(C)C=C1)C=C2
- LogP
- 4.506 · 4.506-4.8 at 25℃
- EPA
- 3 H-Dibenz[f,ij]isoquinoline-2,7-dione, · 3H-Dibenz[f,ij]isoquinoline-2,7-dione, 3-methyl-6-[(4-methylphenyl)amino]- (81-39-0)
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 100% (210 of 210) of all reports.
Not Classified
Aggregated GHS information provided per 210 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 3H-Dibenz[f,ij]isoquinoline-2,7-dione, 3-methyl-6-[(4-methylphenyl)amino]-
REACH registered substance: 3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione (EC: 201-346-7)
3H-Naphtho1,2,3-dequinoline-2,7-dione, 3-methyl-6-(4-methylphenyl)amino-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-08597
화학 및 산업
용도 및 제조
General Manufacturing Information3H-Naphtho[1,2,3-de]quinoline-2,7-dione, 3-methyl-6-[(4-methylphenyl)amino]-: ACTIVE
응용 분야
용도Solvent Red 52 is used in method for production of Poly(trimethylene furandicarboxylate) using Zinc catalyst.
제조 방법
(a) 6-Bromo-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione or 1-Bromo-4-(N-methylacetamido)anthraquinone and p-Methylaniline condensation; (b)N-(4-(p-toluidino)-9,10-dioxo-9,10-dihydroanthracen-1-yl)-N-methylacetamide closed loop into Anthrapyridone.
상·하류 제품 정보
상류 원료
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…