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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 175238생성일: 2026년 11월 2일

2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-[2-[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulfo-2-naphthalenyl]diazenyl]-4-hydroxy-, sodium salt (1:3)

5'-Benzoylamino-5-(5-chloro-2,6-difluoro-4-pyrimidinylaminomethyl)-4'-hydroxy-(2,3'-azobisnaphthalene)-1,2',7'-trisulfonic acid trisodium salt · 1-Hydroxy-8-benzoylamino-2-[5-[(2,4-difluoro-5-chloropyrimidin-6-yl)aminomethyl]-1-sulfo-2-naphtylazo]-3,6-naphthalenedisulfonic acid trisodium salt · 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-[[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulfo-2-naphthalenyl]azo]-4-hydroxy-, trisodium salt

https://huagongshe.com/ko/chemical/175238

2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-[2-[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulfo-2-naphthalenyl]diazenyl]-4-hydroxy-, sodium salt (1:3) 분자 구조식

식별자 및 물리적 특성

CAS No.72894-29-2
분자식C32H18ClF2N6Na3O11S3
평균 분자량901.1 g/mol
단동위원소 질량899.9545358 g/mol
SMILESO=C(Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc4c(CNc5nc(F)nc(F)c5Cl)cccc4c3S(=O)(=O)[O-])c(O)c12)c1ccccc1.[Na+].[Na+].[Na+]
InChIKeyCTIBUHWESDVLEX-UHFFFAOYSA-K
PubChem CID175238
DTXSIDDTXSID60890282

화학 및 물리적 성질

극성 표면적309
수소 결합 공여자 수3
수소 결합 수용자 수18
회전 가능 결합 수7
무거운 원자 수58
형식 전하0
복잡도1,690
EPA2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-[[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulfo-2-naphthalenyl]azo]-4-hydroxy-, trisodium salt (72894-29-2)

안전 및 규제

TSCA 등재 상태TSCA listed
기존화학 물질KE-02755