기본 정보
- CAS
72152-50-2- 표준 SMILES
Cc1cc(C(=O)Nc2ccc3c(O)c(N=Nc4ccccc4C(=O)[O-])c(S(=O)(=O)[O-])cc3c2)ccc1N=Nc1c(S(=O)(=O)[O-])cc2cc(NC(=O)c3ccccc3)ccc2c1O.[Na+].[Na+].[Na+]- InChIKey
RJWRCCXNBNASSI-UHFFFAOYSA-K- 분자식
- C42H27N6Na3O12S2
- 평균 분자량
- 940.8 g/mol
- 단동위원소 질량
- 940.08214551
이름 및 식별자
- 우선 이름
- Benzoic acid, 2-(2-(6-((4-(2-(6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-3-methylbenzoyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:3)
- IUPAC
- trisodium;2-[[6-[[4-[(6-benzamido-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-3-methylbenzoyl]amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]benzoate
- 영어명
- trisodium 2-[[6-[[4-[[6-(benzoylamino)-1-hydroxy-3-sulphonato-2-naphthyl]azo]-3-methylbenzoyl]amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]benzoate
- 분자식
- C42H27N6Na3O12S2
- 분자량
- 940.79609
이름 및 동의어
72152-50-2DTXSID80890188EINECS 276-404-8Benzoic acid, 2-((6-((4-((6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-3-methylbenzoyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-, trisodium saltBenzoic acid, 2-(2-(6-((4-(2-(6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-3-methylbenzoyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:3)Benzoic acid, 2-[2-[6-[[4-[2-[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-3-methylbenzoyl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:3)Benzoic acid, 2-[[6-[[4-[[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-3-methylbenzoyl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-, trisodium saltRefChem:118317DTXCID001079113Trisodium 2-((6-((4-((6-(benzoylamino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)-3-methylbenzoyl)amino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)benzoateTrisodium 2-[(6-{4-[(6-benzamido-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-3-methylbenzamido}-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]benzoate
물성
구조 계산 물성
- 극성 표면적
- 319 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 65
- 형식 전하
- 0
- 복잡도
- 1,850
물리화학적 성질
- EPA
- 2 · Benzoic acid, 2-[[6-[[4-[[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-3-methylbenzoyl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-, trisodium salt (72152-50-2)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: Benzoic acid, 2-[[6-[[4-[[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-3-methylbenzoyl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-, trisodium salt
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzoic acid, 2-[2-[6-[[4-[2-[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-3-methylbenzoyl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:3): INACTIVE
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