기본 정보
- CAS
72928-80-4- 표준 SMILES
Cc1nn(-c2ccccc2)c([O-])c1N=Nc1ccc([N+](=O)[O-])cc1[O-].[Cr+3].[H+].[O-]c1ccc(Cl)cc1N=Nc1c([O-])ccc2ccccc12- InChIKey
KFSHJWFZIBFMFW-UHFFFAOYSA-K- 분자식
- C32H21ClCrN7O6
- 평균 분자량
- 687 g/mol
- 단동위원소 질량
- 686.064689
이름 및 식별자
- 우선 이름
- Chromate(1-), [1-[2-[5-chloro-2-(hydroxy-kappaO)phenyl]diazenyl-kappaN1]-2-naphthalenolato(2-)-kappaO][2,4-dihydro-4-[2-[2-(hydroxy-kappaO)-4-nitrophenyl]diazenyl-kappaN1]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3]-, hydrogen (1:1)
- IUPAC
- 1-[(5-chloro-2-oxidophenyl)diazenyl]naphthalen-2-olate;chromium(3+);hydron;3-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate
이름 및 동의어
Chromate(1-), (1-(2-(5-chloro-2-(hydroxy-kappaO)phenyl)diazenyl-kappaN1)-2-naphthalenolato(2-)-kappaO)(2,4-dihydro-4-(2-(2-(hydroxy-kappaO)-4-nitrophenyl)diazenyl-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)-, hydrogen (1:1)Chromate(1-), [1-[2-[5-chloro-2-(hydroxy-kappaO)phenyl]diazenyl-kappaN1]-2-naphthalenolato(2-)-kappaO][2,4-dihydro-4-[2-[2-(hydroxy-kappaO)-4-nitrophenyl]diazenyl-kappaN1]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3]-, hydrogen (1:1)RefChem:576197DTXCID701769561Chromate(1-), [1-[2-[5-chloro-2-(hydroxy-.kappa.O)phenyl]diazenyl-.kappa.N1]-2-naphthalenolato(2-)-.kappa.O][2,4-dihydro-4-[2-[2-(hydroxy-.kappa.O)-4-nitrophenyl]diazenyl-.kappa.N1]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-.kappa.O3]-, hydrogen (1:1)DTXSID30134011972928-80-4EINECS 277-090-5Chromate(1-), (1-((5-chloro-2-(hydroxy-kappaO)phenyl)azo-kappaN1)-2-naphthalenolato(2-))(2,4-dihydro-4-((2-(hydroxy-kappaO)-4-nitrophenyl)azo-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)-, hydrogenChromate(1-), (2,4-dihydro-4-((2-hydroxy-4-nitrophenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))(1-((2-hydroxy-5-chlorophenyl)azo)-2-naphthalenolato)-, hydrogenChromate(1-), [1-[[5-chloro-2-(hydroxy-.kappa.O)phenyl]azo-.kappa.N1]-2-naphthalenolato(2-)][2,4-dihydro-4-[[2-(hydroxy-.kappa.O)-4-nitrophenyl]azo-.kappa.N1]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-.kappa.O3]-, hydrogenHydrogen (1-((5-chloro-2-hydroxyphenyl)azo)-2-naphtholato(2-))(2,4-dihydro-4-((2-hydroxy-4-nitrophenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))chromate(1-)
데이터베이스 식별자
- CAS
72928-80-4- PubChem CID
- 175309
- EC Number
- 277-090-5
물성
구조 계산 물성
- 극성 표면적
- 205 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 873
화학 및 산업
용도 및 제조
General Manufacturing Information
Chromate(1-), [1-[2-[5-chloro-2-(hydroxy-.kappa.O)phenyl]diazenyl-.kappa.N1]-2-naphthalenolato(2-)-.kappa.O][2,4-dihydro-4-[2-[2-(hydroxy-.kappa.O)-4-nitrophenyl]diazenyl-.kappa.N1]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-.kappa.O3]-, hydrogen (1:1): INACTIVE
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