기본 정보
- CAS
71873-47-7- 표준 SMILES
COc1ccc(C(=O)[O-])cc1N=Nc1c(S(=O)(=O)[O-])cc2cc(NC(=O)Nc3cc(C)c(N=Nc4cc(S(=O)(=O)[O-])cc5cc(S(=O)(=O)[O-])cc(O)c45)cc3OC)ccc2c1O.[Na+].[Na+].[Na+].[Na+]- InChIKey
AGVQRJZBHGGNJE-UHFFFAOYSA-J- 분자식
- C37H26N6Na4O16S3
- 평균 분자량
- 998.8 g/mol
- 단동위원소 질량
- 998.0158194
이름 및 식별자
- 우선 이름
- Benzoic acid, 3-(2-(1-hydroxy-6-((((4-(2-(8-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl)-2-methoxy-5-methylphenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)diazenyl)-4-methoxy-, sodium salt (1:4)
- IUPAC
- tetrasodium;3-[[1-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]-2-methoxy-5-methylphenyl]carbamoylamino]-3-sulfonatonaphthalen-2-yl]diazenyl]-4-methoxybenzoate
- 영어명
- tetrasodium 3-[[1-hydroxy-6-[[[[4-[(8-hydroxy-3,6-disulphonato-1-naphthyl)azo]-2-methoxy-5-methylphenyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]-p-anisate
- 분자식
- C37H26N6Na4O16S3
- 분자량
- 998.78702
이름 및 동의어
71873-47-7DTXSID80890168EINECS 276-124-6Benzoic acid, 3-((1-hydroxy-6-((((4-((8-hydroxy-3,6-disulfo-1-naphthalenyl)azo)-2-methoxy-5-methylphenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)azo)-4-methoxy-, tetrasodium saltBenzoic acid, 3-(2-(1-hydroxy-6-((((4-(2-(8-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl)-2-methoxy-5-methylphenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)diazenyl)-4-methoxy-, sodium salt (1:4)Benzoic acid, 3-[2-[1-hydroxy-6-[[[[4-[2-(8-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl]-2-methoxy-5-methylphenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]diazenyl]-4-methoxy-, sodium salt (1:4)Benzoic acid, 3-[[1-hydroxy-6-[[[[4-[(8-hydroxy-3,6-disulfo-1-naphthalenyl)azo]-2-methoxy-5-methylphenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]azo]-4-methoxy-, tetrasodium saltRefChem:118386DTXCID301079093Tetrasodium 3-((1-hydroxy-6-((((4-((8-hydroxy-3,6-disulphonato-1-naphthyl)azo)-2-methoxy-5-methylphenyl)amino)carbonyl)amino)-3-sulphonato-2-naphthyl)azo)-p-anisateNS00061543Tetrasodium 3-({1-hydroxy-6-[({4-[(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]-2-methoxy-5-methylphenyl}carbamoyl)amino]-3-sulfonatonaphthalen-2-yl}diazenyl)-4-methoxybenzoate
이름 더 보기
tetrasodium 3-[[1-hydroxy-6-[[[[4-[(8-hydroxy-3,6-disulphonato-1-naphthyl)azo]-2-methoxy-5-methylphenyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]-p-anisateBenzoic acid, 3-[[1-hydroxy-6-[[[[4-[(8-hydroxy-3,6-disulfo-1-naphthalenyl)azo]-2-methoxy-5-methylphenyl]amino]carbonyl] amino]-3-sulfo-2-naphthalenyl]azo]-4-methoxy-, tetrasodium salt3-[[1-Hydroxy-6-[[[[4-[[8-hydroxy-3,6-bis(sodiooxysulfonyl)-1-naphtyl]azo]-2-methoxy-5-methylphenyl]amino]carbonyl]amino]-3-sodiooxysulfonyl-2-naphtyl]azo]-4-methoxybenzoic acid sodium salt
데이터베이스 식별자
- CAS
71873-47-7- PubChem CID
- 166205
- DTXSID
DTXSID80890168- EC Number
- 276-124-6
물성
구조 계산 물성
- 극성 표면적
- 386 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 20
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 66
- 형식 전하
- 0
- 복잡도
- 1,950
물리화학적 성질
- EPA
- 3 · Benzoic acid, 3-[[1-hydroxy-6-[[[[4-[(8-hydroxy-3,6-disulfo-1-naphthalenyl)azo]-2-methoxy-5-methylphenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]azo]-4-methoxy-, tetrasodium salt (71873-47-7)
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% (8 of 8) of all reports.
Not Classified
Aggregated GHS information provided per 8 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationChemical: Benzoic acid, 3-[[1-hydroxy-6-[[[[4-[(8-hydroxy-3,6-disulfo-1-naphthalenyl)azo]-2-methoxy-5-methylphenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]azo]-4-methoxy-, tetrasodium salt
Hazard Classes and CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-20554
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzoic acid, 3-[2-[1-hydroxy-6-[[[[4-[2-(8-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl]-2-methoxy-5-methylphenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]diazenyl]-4-methoxy-, sodium salt (1:4): ACTIVE
관련 반응
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