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2-Naphthalenesulfonic acid, 7-[[4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(4-methoxy-2-sulfophenyl)diazenyl]-, sodium salt (1:2)

HCID 166146
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
70833-38-4
표준 SMILES
CCN(c1ccccc1)c1nc(F)nc(Nc2ccc3c(O)c(N=Nc4ccc(OC)cc4S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc3c2)n1.[Na+].[Na+]
InChIKey
RVHUTHFCUQUEQH-UHFFFAOYSA-L
분자식
C28H22FN7Na2O8S2
평균 분자량
713.6 g/mol
단동위원소 질량
713.07506976

이름 및 식별자

우선 이름
2-Naphthalenesulfonic acid, 7-[[4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(4-methoxy-2-sulfophenyl)diazenyl]-, sodium salt (1:2)
IUPAC
disodium;7-[[4-(N-ethylanilino)-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate
영어명
disodium 7-[[4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2-sulphonate
분자식
C28H22FN7Na2O8S2
분자량
713.6243232

이름 및 동의어

70833-38-4EINECS 274-917-1DTXSID308900972-Naphthalenesulfonic acid, 7-((4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(4-methoxy-2-sulfophenyl)diazenyl)-, sodium salt (1:2)7-((4-(Ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methoxy-2-sulfophenyl)azo)-2-naphthalenesulfonic acid, disodium salt2-Naphthalenesulfonic acid, 7-[[4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(4-methoxy-2-sulfophenyl)diazenyl]-, sodium salt (1:2)RefChem:88594DTXCID7010790192-Naphthalenesulfonic acid, 7-((4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methoxy-2-sulfophenyl)azo)-, disodium salt2-Naphthalenesulfonic acid, 7-[[4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)azo]-, disodium saltDisodium 7-((4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methoxy-2-sulphonatophenyl)azo)naphthalene-2-sulphonateDisodium 7-[[4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2-sulphonate

물성

구조 계산 물성

극성 표면적
239 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
16
회전 가능 결합 수
8
무거운 원자 수
48
형식 전하
0
복잡도
1,220

물리화학적 성질

EPA
2 · 2-Naphthalenesulfonic acid, 7-[[4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)azo]-, disodium salt (70833-38-4)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

유해성 정보

Regulatory Information · 2건

Chemical: 2-Naphthalenesulfonic acid, 7-[[4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)azo]-, disodium salt

2-Naphthalenesulfonic acid, 7-4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-ylamino-4-hydroxy-3-(4-methoxy-2-sulfophenyl)azo-, disodium 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 - 2-Naphthalenesulfonic acid, 7-[[4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)azo]-, disodium salt: Human health tier I assessment

안전 데이터

tsca
TSCA listed
기존화학 물질
KE-12318

화학 및 산업

용도 및 제조

General Manufacturing Information2-Naphthalenesulfonic acid, 7-[[4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(4-methoxy-2-sulfophenyl)diazenyl]-, sodium salt (1:2): ACTIVE

관련 반응

0건
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이름 더 보기
RVHUTHFCUQUEQH-KGNAMTJXSA-L2-(N-Ethylanilino)-4-fluoro-6-[5-hydroxy-6-(4-methoxy-2-sodiosulfophenylazo)-7-sodiosulfo-2-naphtylamino]-1,3,5-triazine7-[4-(N-Ethylanilino)-6-fluoro-1,3,5-triazin-2-ylamino]-4-hydroxy-3-(4-methoxy-2-sulfophenylazo)-2-naphthalenesulfonic acid disodium salt2-Naphthalenesulfonic acid, 7-4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-ylamino-4-hydroxy-3-(4-methoxy-2-sulfophenyl)azo-, disodium salt7-[[4-(Ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sodiosulfophenyl)azo]-2-naphthalenesulfonic acid sodium salt
BJPLFDMJYJBYKC-FCDOPOSJSA-LNS00063574Disodium 7-({4-[ethyl(phenyl)amino]-6-fluoro-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate

데이터베이스 식별자

CAS
70833-38-4
PubChem CID
166146
DTXSID
DTXSID30890097
EC Number
274-917-1