기본 정보
- CAS
71720-94-0- 표준 SMILES
Cc1cc(-c2cc(C)c(N=Nc3cc(S(=O)(=O)[O-])c4ccccc4c3O)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc1N=Nc1ccc(NC(=O)CCl)cc1.[Na+].[Na+].[Na+]- InChIKey
YNJRXWQXVAMJNY-UHFFFAOYSA-K- 분자식
- C32H23ClN5Na3O11S3
- 평균 분자량
- 854.2 g/mol
- 단동위원소 질량
- 852.9937806
이름 및 식별자
- 우선 이름
- [1,1'-Biphenyl]-2,2'-disulfonic acid, 4-[2-[4-[(2-chloroacetyl)amino]phenyl]diazenyl]-4'-[2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl]-5,5'-dimethyl-, sodium salt (1:3)
- IUPAC
- trisodium;3-[[4-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]-5-methyl-2-sulfonatophenyl]-2-methyl-5-sulfonatophenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonate
- 영어명
- trisodium 4-[[4-[(chloroacetyl)amino]phenyl]azo]-4'-[(1-hydroxy-4-sulphonato-2-naphthyl)azo]-5,5'-dimethyl[1,1'-biphenyl]-2,2'-disulphonate
- 분자식
- C32H23ClN5Na3O11S3
- 분자량
- 854.16923
이름 및 동의어
DTXSID90890159(1,1'-Biphenyl)-2,2'-disulfonic acid, 4-((4-((chloroacetyl)amino)phenyl)azo)-4'-((1-hydroxy-4-sulfo-2-naphthalenyl)azo)-5,5'-dimethyl-, trisodium salt(1,1'-Biphenyl)-2,2'-disulfonic acid, 4-(2-(4-((2-chloroacetyl)amino)phenyl)diazenyl)-4'-(2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl)-5,5'-dimethyl-, sodium salt (1:3)[1,1'-Biphenyl]-2,2'-disulfonic acid, 4-[[4-[(chloroacetyl)amino]phenyl]azo]-4'-[(1-hydroxy-4-sulfo-2-naphthalenyl)azo]-5,5'-dimethyl-, trisodium salt[1,1'-Biphenyl]-2,2'-disulfonic acid, 4-[2-[4-[(2-chloroacetyl)amino]phenyl]diazenyl]-4'-[2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl]-5,5'-dimethyl-, sodium salt (1:3)RefChem:550929DTXCID20107907671720-94-0EINECS 275-920-0SLBAXZNNDDJFHM-LVMHUEJWSA-KNS00063394Trisodium 4-((4-((chloroacetyl)amino)phenyl)azo)-4'-((1-hydroxy-4-sulphonato-2-naphthyl)azo)-5,5'-dimethyl(1,1'-biphenyl)-2,2'-disulphonate
이름 더 보기
trisodium 4-[[4-[(chloroacetyl)amino]phenyl]azo]-4'-[(1-hydroxy-4-sulphonato-2-naphthyl)azo]-5,5'-dimethyl[1,1'-biphenyl]-2,2'-disulphonate
물성
구조 계산 물성
- 극성 표면적
- 296 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,600
물리화학적 성질
- EPA
- 1 · [1,1'-Biphenyl]-2,2'-disulfonic acid, 4-[[4-[(chloroacetyl)amino]phenyl]azo]-4'-[(1-hydroxy-4-sulfo-2-naphthalenyl)azo]-5,5'-dimethyl-, trisodium salt (71720-94-0)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: [1,1'-Biphenyl]-2,2'-disulfonic acid, 4-[[4-[(chloroacetyl)amino]phenyl]azo]-4'-[(1-hydroxy-4-sulfo-2-naphthalenyl)azo]-5,5'-dimethyl-, trisodium salt
Other Safety InformationIMAP assessments - [1,1'-Biphenyl]-2,2'-disulfonic acid, 4-[[4-[(chloroacetyl)amino]phenyl]azo]-4'-[(1-hydroxy-4-sulfo-2-naphthalenyl)azo]-5,5'-dimethyl-, trisodium salt: Human health tier I assessment
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information[1,1'-Biphenyl]-2,2'-disulfonic acid, 4-[2-[4-[(2-chloroacetyl)amino]phenyl]diazenyl]-4'-[2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl]-5,5'-dimethyl-, sodium salt (1:3): INACTIVE
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