기본 정보
- CAS
73019-06-4- 표준 SMILES
O=C(Nc1ccc(S(=O)(=O)[O-])c2cc(S(=O)(=O)[O-])c(N=Nc3ccc4c(CNc5nc(F)nc(F)c5Cl)cccc4c3S(=O)(=O)[O-])c(O)c12)c1ccccc1.[Na+].[Na+].[Na+]- InChIKey
APRKZKNAJWBWFY-UHFFFAOYSA-K- 분자식
- C32H18ClF2N6Na3O11S3
- 평균 분자량
- 901.1 g/mol
- 단동위원소 질량
- 899.9545358
이름 및 식별자
- 우선 이름
- 1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-6-[2-[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulfo-2-naphthalenyl]diazenyl]-5-hydroxy-, sodium salt (1:3)
- IUPAC
- trisodium;4-benzamido-6-[[5-[[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl]-1-sulfonatonaphthalen-2-yl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonate
- 현지명
- 1,7-나프탈렌디술폰산,4-(벤조일아미노)-6-[[5-[[(5-클로로-2,6-디플루오로-4-피리미디닐)아미노]메틸]-1-술포-2-나프탈레닐]아조]-5-히드록시-,삼나트륨염
- 영어명
- 1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-6-[[5-[[ (5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl ]-1-sulfo-2-naphthalenyl]azo]-5-hydroxy-, trisodium salt
- 분자식
- C32H21ClF2N6O11S3.3Na
- 분자량
- 904.17
이름 및 동의어
73019-06-4DTXSID808903251,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-6-((5-(((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)methyl)-1-sulfo-2-naphthalenyl)azo)-5-hydroxy-, trisodium salt1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-6-(2-(5-(((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)methyl)-1-sulfo-2-naphthalenyl)diazenyl)-5-hydroxy-, sodium salt (1:3)5-(((2,4-Difluoro-5-chloropyrimid-6-yl)amino)methyl)-2-((4-(benzoylamino)-5-hydroxy-1,7-disulfonaphth-6-yl)azo)-1-naphthalenesulfonic acid, trisodium salt1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-6-[[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulfo-2-naphthalenyl]azo]-5-hydroxy-, trisodium salt1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-6-[2-[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulfo-2-naphthalenyl]diazenyl]-5-hydroxy-, sodium salt (1:3)RefChem:73708DTXCID9010792531,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-6-[[5-[[ (5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl ]-1-sulfo-2-naphthalenyl]azo]-5-hydroxy-, trisodium salt
물성
구조 계산 물성
- 극성 표면적
- 309 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 58
- 형식 전하
- 0
- 복잡도
- 1,690
물리화학적 성질
- EPA
- 1 · 1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-6-[[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulfo-2-naphthalenyl]azo]-5-hydroxy-, trisodium salt (73019-06-4)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-02754
화학 및 산업
용도 및 제조
General Manufacturing Information1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-6-[2-[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulfo-2-naphthalenyl]diazenyl]-5-hydroxy-, sodium salt (1:3): INACTIVE
공급사1 곳
南京世洲生物科技有限公司13675144456 · [email protected]
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