반응성블루52

C.I. Reactive Blue 52

HCID 136180180CAS 12225-63-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C(O)c1cc(S(=O)(=O)O)ccc1N=NC(C=Nc1cc(S(=O)(=O)O)cc(Nc2nc(Cl)nc(Cl)c2Cl)c1O)c1ccccc1.[Cu].[H+].[Na+].[Na+]
InChIKey
FJEQZLJDUWKIOA-UHFFFAOYSA-O
분자식
C25H18Cl3CuN6Na2O9S2+3
평균 분자량
826.5 g/mol

이름 및 식별자

우선 이름
C.I. Reactive Blue 52
IUPAC
disodium;copper;hydron;2-[[2-[2-hydroxy-5-sulfo-3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]imino-1-phenylethyl]diazenyl]-5-sulfobenzoic acid
현지명
반응성블루52
영어명
Reactive blue 52
분자량
0

이름 및 동의어

C.I. Reactive Blue 52EINECS 277-768-0Cuprate(3-), (2-((2-((2-(hydroxy-kappaO)-5-sulfo-3-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)imino-kappaN)-1-phenylethyl)azo-kappaN1)-5-sulfobenzoato(5-)-kappaO)-, disodium hydrogenCuprate(3-), (2-((2-((2-hydroxy-5-sulfo-3-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)imino)-1-phenylethyl)azo)-5-sulfobenzoato(5-))-, disodium hydrogenCuprate(3-), (2-(2-(2-((2-(hydroxy-kappaO)-5-sulfo-3-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)imino-kappaN)-1-phenylethyl)diazenyl-kappaN1)-5-sulfobenzoato(5-)-kappaO)-, sodium hydrogen (1:2:1)Cuprate(3-), [2-[[2-[[2-hydroxy-5-sulfo-3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]imino]-1-phenylethyl]azo]-5-sulfobenzoato(5-)]-, disodium hydrogenCuprate(3-), [2-[2-[2-[[2-(hydroxy-kappaO)-5-sulfo-3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]imino-kappaN]-1-phenylethyl]diazenyl-kappaN1]-5-sulfobenzoato(5-)-kappaO]-, sodium hydrogen (1:2:1)RefChem:572642DTXSID1010486112225-63-7Cuprate(3-), [2-[2-[2-[[2-(hydroxy-.kappa.O)-5-sulfo-3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]imino-.kappa.N]-1-phenylethyl]diazenyl-.kappa.N1]-5-sulfobenzoato(5-)-.kappa.O]-, sodium hydrogen (1:2:1)74204-30-1
이름 더 보기
반응성블루52
Disodium hydrogen (2-((2-((2-hydroxy-5-sulpho-3-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)imino)-1-phenylethyl)azo)-5-sulphobenzoato(5-))cuprate(3-)

데이터베이스 식별자

CAS
12225-63-7、74204-30-1
PubChem CID
136180180
EC Number
277-768-0

물성

구조 계산 물성

극성 표면적
258 Ų
수소 결합 공여자 수
6
수소 결합 수용자 수
15
회전 가능 결합 수
3
무거운 원자 수
48

안전 및 규제

유해성 정보

Regulatory Information · 2건

Chemical: Cuprate(3-), [2-[[2-[[2-hydroxy-5-sulfo-3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]imino]-1-phenylethyl]azo]-5-sulfobenzoato(5-)]-, disodium hydrogen

Chemical: C.I. Reactive Blue 52

Other Safety InformationIMAP assessments - Cuprate(3-), [2-[[2-[[2-hydroxy-5-sulfo-3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]imino]-1-phenylethyl]azo]-5-sulfobenzoato(5-)]-, disodium hydrogen: Human health tier I assessment

화학 및 산업

용도 및 제조

General Manufacturing InformationCuprate(3-), [2-[2-[2-[[2-(hydroxy-.kappa.O)-5-sulfo-3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]imino-.kappa.N]-1-phenylethyl]diazenyl-.kappa.N1]-5-sulfobenzoato(5-)-.kappa.O]-, sodium hydrogen (1:2:1): ACTIVE

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