기본 정보
- CAS
61968-79-4- 표준 SMILES
COc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)cc1N=Nc1c(O)c(C(=O)Nc2ccccc2C)cc2ccccc12- InChIKey
SECAKRZQBSFFML-UHFFFAOYSA-N- 분자식
- C31H24N4O8S
- 평균 분자량
- 612.6 g/mol
- 단동위원소 질량
- 612.13148491
이름 및 식별자
- 우선 이름
- Benzenesulfonic acid, 3-[2-[2-hydroxy-3-[[(2-methylphenyl)amino]carbonyl]-1-naphthalenyl]diazenyl]-4-methoxy-, 4-nitrophenyl ester
- IUPAC
- (4-nitrophenyl) 3-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-4-methoxybenzenesulfonate
- 영어명
- nitrophenyl 3-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-1-naphthyl]azo]-4-methoxybenzenesulphonate
- 분자식
- C31H24N4O8S
- 분자량
- 612.61
이름 및 동의어
DTXSID90868156Benzenesulfonic acid, 3-[2-[2-hydroxy-3-[[(2-methylphenyl)amino]carbonyl]-1-naphthalenyl]diazenyl]-4-methoxy-, 4-nitrophenyl ester1-((2-Methoxy-5-((4-nitrophenoxy)sulfonyl)phenyl)azo)-3-(((2-methylphenyl)amino)carbonyl)-2-naphtholBenzenesulfonic acid, 3-((2-hydroxy-3-(((2-methylphenyl)amino)carbonyl)-1-naphthalenyl)azo)-4-methoxy-, 4-nitrophenyl esterBenzenesulfonic acid, 3-(2-(2-hydroxy-3-(((2-methylphenyl)amino)carbonyl)-1-naphthalenyl)diazenyl)-4-methoxy-, 4-nitrophenyl esterBenzenesulfonic acid, 3-[[2-hydroxy-3-[[(2-methylphenyl)amino]carbonyl]-1-naphthalenyl]azo]-4-methoxy-, 4-nitrophenyl esterRefChem:564278DTXCID10816290612-905-372639-39-5Pigment red 95EINECS 276-755-7
이름 더 보기
UORQSRSLZXYOJT-JEIPZWNWSA-Nbenzenesulfonic acid, 3-[[2-hydroxy-3-[[(2-methylphenyl)amino]carbonyl]-1-naphtnitrophenyl 3-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-1-naphthyl]azo]-4-methoxybenzenesulphonate
물성
구조 계산 물성
- XLogP
- 7.2
- 극성 표면적
- 181 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,120
물리화학적 성질
- 끓는 점
- 801 · 801.0±65.0 °C(Predicted)
- 밀도
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.98 · 11.98±0.70(Predicted)
- EPA
- 3 · Benzenesulfonic acid, 3-[[2-hydroxy-3-[[(2-methylphenyl)amino]carbonyl]-1-naphthalenyl]azo]-4-methoxy-, 4-nitrophenyl ester (72639-39-5)
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% (42 of 42) of all reports.
Not Classified
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.
Not Classified
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationChemical: Benzenesulfonic acid, 3-[[2-hydroxy-3-[[(2-methylphenyl)amino]carbonyl]-1-naphthalenyl]azo]-4-methoxy-, 4-nitrophenyl ester
Other Safety InformationIMAP assessments - Benzenesulfonic acid, 3-[[2-hydroxy-3-[[(2-methylphenyl)amino]carbonyl]-1-naphthalenyl]azo]-4-methoxy-, 4-nitrophenyl ester: Human health tier I assessment
Hazard Classes and Categories
Not Classified
Not Classified
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzenesulfonic acid, 3-[2-[2-hydroxy-3-[[(2-methylphenyl)amino]carbonyl]-1-naphthalenyl]diazenyl]-4-methoxy-, 4-nitrophenyl ester: ACTIVE
공급사2 곳
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
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