기본 정보
- CAS
70288-95-8- 표준 SMILES
CC(=O)Nc1cc([N+](=O)[O-])cc(N=Nc2c([O-])ccc3cccc(NC(C)=O)c23)c1[O-].CNS(=O)(=O)c1ccc(N=Nc2c([O-])ccc3cccc(NC(C)=O)c23)c([O-])c1.[Cr+3].[Na+]- InChIKey
UTHBAKNTLPEQRL-UHFFFAOYSA-J- 분자식
- C39H31CrN9O11S.Na
- 평균 분자량
- 908.8 g/mol
- 단동위원소 질량
- 908.116648
이름 및 식별자
- 우선 이름
- Chromate(1-), (N-(3-((8-(acetylamino)-2-hydroxy-1-naphthalenyl)azo)-2-hydroxy-5-nitrophenyl)acetamidato(2-))(N-(7-hydroxy-8-((2-hydroxy-5-((methylamino)sulfonyl)phenyl)azo)-1-naphthalenyl)acetamidato(2-))-, sodium
- IUPAC
- sodium;8-acetamido-1-[(3-acetamido-5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate;8-acetamido-1-[[4-(methylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate;chromium(3+)
이름 및 동의어
Chromate(1-), (N-(3-((8-(acetylamino)-2-hydroxy-1-naphthalenyl)azo)-2-hydroxy-5-nitrophenyl)acetamidato(2-))(N-(7-hydroxy-8-((2-hydroxy-5-((methylamino)sulfonyl)phenyl)azo)-1-naphthalenyl)acetamidato(2-))-, sodiumChromate(1-), (N-(3-(2-(8-(acetylamino)-2-(hydroxy-kappaO)-1-naphthalenyl)diazenyl-kappaN1)-2-(hydroxy-kappaO)-5-nitrophenyl)acetamidato(2-))(N-(7-(hydroxy-kappaO)-8-(2-(2-(hydroxy-kappaO)-5-((methylamino)sulfonyl)phenyl)diazenyl-kappaN1)-1-naphthalenyl)acetamidato(2-))-, sodium (1:1)Chromate(1-), [N-[3-[[8-(acetylamino)-2-hydroxy-1-naphthalenyl]azo]-2-hydroxy-5-nitrophenyl]acetamidato(2-)][N-[7-hydroxy-8-[[2-hydroxy-5-[(methylamino)sulfonyl]phenyl]azo]-1-naphthalenyl]acetamidato(2-)]-, sodiumChromate(1-), [N-[3-[2-[8-(acetylamino)-2-(hydroxy-kappaO)-1-naphthalenyl]diazenyl-kappaN1]-2-(hydroxy-kappaO)-5-nitrophenyl]acetamidato(2-)][N-[7-(hydroxy-kappaO)-8-[2-[2-(hydroxy-kappaO)-5-[(methylamino)sulfonyl]phenyl]diazenyl-kappaN1]-1-naphthalenyl]acetamidato(2-)]-, sodium (1:1)RefChem:576179DTXCID701769654274-537-6Chromate(1-), [N-[3-[2-[8-(acetylamino)-2-(hydroxy-.kappa.O)-1-naphthalenyl]diazenyl-.kappa.N1]-2-(hydroxy-.kappa.O)-5-nitrophenyl]acetamidato(2-)][N-[7-(hydroxy-.kappa.O)-8-[2-[2-(hydroxy-.kappa.O)-5-[(methylamino)sulfonyl]phenyl]diazenyl-.kappa.N1]-1-naphthalenyl]acetamidato(2-)]-, sodium (1:1)
물성
구조 계산 물성
- 극성 표면적
- 329 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 62
- 형식 전하
- 0
- 복잡도
- 1,420
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: Chromate(1-), [N-[3-[[8-(acetylamino)-2-hydroxy-1-naphthalenyl]azo]-2-hydroxy-5-nitrophenyl]acetamidato(2-)][N-[7-hydroxy-8-[[2-hydroxy-5-[(methylamino)sulfonyl]phenyl]azo]-1-naphthalenyl]acetamidato(2-)]-, sodium
Other Safety Information
IMAP assessments - Chromate(1-), [N-[3-[[8-(acetylamino)-2-hydroxy-1-naphthalenyl]azo]-2-hydroxy-5-nitrophenyl]acetamidato(2-)][N-[7-hydroxy-8-[[2-hydroxy-5-[(methylamino)sulfonyl]phenyl]azo]-1-naphthalenyl]acetamidato(2-)]-, sodium: Human health tier I assessment
화학 및 산업
용도 및 제조
General Manufacturing Information
Chromate(1-), [N-[3-[2-[8-(acetylamino)-2-(hydroxy-.kappa.O)-1-naphthalenyl]diazenyl-.kappa.N1]-2-(hydroxy-.kappa.O)-5-nitrophenyl]acetamidato(2-)][N-[7-(hydroxy-.kappa.O)-8-[2-[2-(hydroxy-.kappa.O)-5-[(methylamino)sulfonyl]phenyl]diazenyl-.kappa.N1]-1-naphthalenyl]acetamidato(2-)]-, sodium (1:1): INACTIVE
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