기본 정보
- CAS
71205-38-4- 표준 SMILES
CCOC(=O)c1c2c3c(c(Br)ccc3n(C)c1=O)C(=O)c1ccccc1-2- InChIKey
QMEYRRLFSLHNJG-UHFFFAOYSA-N- 분자식
- C20H14BrNO4
- 평균 분자량
- 412.2 g/mol
- 단동위원소 질량
- 411.01062
이름 및 식별자
- 우선 이름
- 3H-Naphtho(1,2,3-de)quinoline-1-carboxylic acid, 6-bromo-2,7-dihydro-3-methyl-2,7-dioxo-, ethyl ester
- IUPAC
- ethyl 10-bromo-14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-16-carboxylate
- 현지명
- 6-브로모-2,7-디히드로-3-메틸-2,7-디옥소-3H-디벤즈[f,ij]이소퀴놀린-1-카르복실산에틸에스테르
- 영어명
- 6-Bromo-2,7-dihydro-3-methyl-2,7-dioxo-3H-dibenz[f,ij]isoquinoline-1-carboxylic acid ethyl ester
- 분자식
- C20H14BrNO4
- 분자량
- 412.23
이름 및 동의어
6-Bromo-1-(ethoxycarbonyl)-3-methyl-7H-dibenz(f,ij)isoquinoline-2,7(3H)-dioneNSC 227204DTXSID90722883H-Naphtho(1,2,3-de)quinoline-1-carboxylic acid, 6-bromo-2,7-dihydro-3-methyl-2,7-dioxo-, ethyl ester3H-Naphtho[1,2,3-de]quinoline-1-carboxylic acid, 6-bromo-2,7-dihydro-3-methyl-2,7-dioxo-, ethyl esterRefChem:505753DTXCID904694871205-38-47WA6WHH8WHEthyl 6-bromo-3-methyl-2,7-dioxo-3,7-dihydro-2H-naphtho[1,2,3-de]quinoline-1-carboxylateNSC-227204ethyl 6-bromo-3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylate
이름 더 보기
6-브로모-2,7-디히드로-3-메틸-2,7-디옥소-3H-디벤즈[f,ij]이소퀴놀린-1-카르복실산에틸에스테르6-Bromo-2,7-dihydro-3-methyl-2,7-dioxo-3H-dibenz[f,ij]isoquinoline-1-carboxylic acid ethyl ester
NSC227204UNII-7WA6WHH8WHethyl 6-bromo-3-methyl-2QMEYRRLFSLHNJG-UHFFFAOYSA-N6-Bromo-1-(ethoxycarbonyl)-3-methyl-7H-dibenz[f,7(3H)-dione3H-Dibenz[f, 6-bromo-2,7-dihydro-3-methyl-2,7-dioxo-, ethyl esterEthyl 6-bromo-2,7-dihydro-3-methyl-2,7-dioxo-3H-naphtho[1,2,3-de]quinoline-1-carboxylate
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 63.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 687
물리화학적 성질
- 녹는점
- 183 · 183-185 °C
- 끓는 점
- 580.5 · 580.5±50.0 °C(Predicted)
- 밀도
- 1 · 1+-.0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -3.34 · -3.34±0.40(Predicted)
- EPA
- 3 H-Naphtho[1,2,3-de]quinoline-1-carboxylic · 3H-Naphtho[1,2,3-de]quinoline-1-carboxylic acid, 6-bromo-2,7-dihydro-3-methyl-2,7-dioxo-, ethyl ester (71205-38-4)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information3H-Naphtho[1,2,3-de]quinoline-1-carboxylic acid, 6-bromo-2,7-dihydro-3-methyl-2,7-dioxo-, ethyl ester: INACTIVE
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…