기본 정보
- CAS
70833-54-4- 표준 SMILES
O=S(=O)([O-])c1cc(Nc2nc(F)nc(Nc3ccc(Cl)cc3)n2)c2c(O)c(N=Nc3ccc4c(S(=O)(=O)[O-])cccc4c3S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Na+].[Na+]- InChIKey
UTIYORRFGQOXTE-UHFFFAOYSA-J- 분자식
- C29H15ClFN7Na4O13S4
- 평균 분자량
- 944.1 g/mol
- 단동위원소 질량
- 942.8874012
이름 및 식별자
- 우선 이름
- 1,5-Naphthalenedisulfonic acid, 2-[2-[8-[[4-[(4-chlorophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:4)
- IUPAC
- tetrasodium;5-[[4-(4-chloroanilino)-6-fluoro-1,3,5-triazin-2-yl]amino]-3-[(1,5-disulfonatonaphthalen-2-yl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
- 영어명
- tetrasodium 2-[[8-[[4-[(4-chlorophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate
- 분자식
- C29H15ClFN7Na4O13S4
- 분자량
- 944.1389832
이름 및 동의어
70833-54-4DTXSID90890098EINECS 274-921-31,5-Naphthalenedisulfonic acid, 2-(2-(8-((4-((4-chlorophenyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:4)2,7-Naphthalenedisulfonic acid, 4-((4-(4-chlorophenyl)amino-6-fluoro-1,3,5-triazin-2-yl)amino)-5-hydroxy-6-((1,5-disulfo-2-naphthyl)azo)-, tetrasodium salt1,5-Naphthalenedisulfonic acid, 2-[2-[8-[[4-[(4-chlorophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:4)RefChem:73524DTXCID7010790212-8-4-(4-chlorophenyl)amino-6-fluoro-1,3,5-triazin-2-ylamino-1-hydroxy-3,6-disulphonato-2-naphthylazonaphthale ne-1,5-disulphonate (sodium salt)1,5-Naphthalenedisulfonic acid, 2-((8-((4-((4-chlorophenyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-, tetrasodium salt1,5-Naphthalenedisulfonic acid, 2-[[8-[[4-[(4-chlorophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, tetrasodium saltTetrasodium 2-((8-((4-((4-chlorophenyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulphonato-2-naphthyl)azo)naphthalene-1,5-disulphonate
이름 더 보기
UTIYORRFGQOXTE-SAZRNXKXSA-Jtetrasodium 2-[[8-[[4-[(4-chlorophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disul2-(4-Chloroanilino)-4-[7-(1,5-disodiosulfo-2-naphtylazo)-8-hydroxy-3,6-disodiosulfo-1-naphtylamino]-6-fluoro-1,3,5-triazine1,5-Naphthalenedisulfonic acid, 2-8-4-(4-chlorophenyl)amino-6-fluoro-1,3,5-triazin-2-ylamino-1-hydroxy-3,6-disulfo-2-naphthalenylazo-, tetrasodium salttetrasodium 2-[[8-[[4-[(4-chlorophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate2-[[8-[[4-[(4-Chlorophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-1,5-naphthalenedisulfonic acid tetrasodium salt2-[[8-[[4-[(4-Chlorophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-bis(sodiooxysulfonyl)-2-naphthalenyl]azo]-1,5-naphthalenedisulfonic acid disodium salt
NS00063114Tetrasodium 2-((8-((4-(4-chloroanilino)-6-fluoro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulfonato-2-naphthyl)diazenyl)-1,5-naphthalenedisulfonateTetrasodium 2-[(8-{[4-(4-chloroanilino)-6-fluoro-1,3,5-triazin-2-yl]amino}-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]naphthalene-1,5-disulfonate
데이터베이스 식별자
- CAS
70833-54-4- PubChem CID
- 166148
- DTXSID
DTXSID90890098- EC Number
- 274-921-3
물성
구조 계산 물성
- 극성 표면적
- 370 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 21
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 59
- 형식 전하
- 0
- 복잡도
- 1,790
물리화학적 성질
- EPA
- 1 · 1,5-Naphthalenedisulfonic acid, 2-[[8-[[4-[(4-chlorophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, tetrasodium salt (70833-54-4)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information
Chemical: 1,5-Naphthalenedisulfonic acid, 2-[[8-[[4-[(4-chlorophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, tetrasodium salt
1,5-Naphthalenedisulfonic acid, 2-8-4-(4-chlorophenyl)amino-6-fluoro-1,3,5-triazin-2-ylamino-1-hydroxy-3,6-disulfo-2-naphthalenylazo-, tetrasodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - 1,5-Naphthalenedisulfonic acid, 2-[[8-[[4-[(4-chlorophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, tetrasodium salt: Human health tier I assessment
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-05514
화학 및 산업
용도 및 제조
General Manufacturing Information1,5-Naphthalenedisulfonic acid, 2-[2-[8-[[4-[(4-chlorophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:4): ACTIVE
공급사1 곳
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