CAS No.52677-44-8,Acid Red 186 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52677-44-8
Name:	Acid Red 186

Formula:	C₂₀H₁₂CrN₄O₈S₂.Na
Molecular Weight:	575.45
Synonyms:	Chromate(1-),[4-[[4,5-dihydro-3-methyl-5-(oxo-kO)-1-(3-sulfophenyl)-1H-pyrazol-4-yl]azo-kN1]-3-(hydroxy-kO)-1-naphthalenesulfonato(4-)]-, sodium (9CI);Chromate(1-),[4-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]azo]-3-hydroxy-1-naphthalenesulfonato(4-)]-,sodium;1-Naphthalenesulfonic acid,4-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]azo]-3-hydroxy-,chromium complex;Acid Complex Pink B;Acid Pink BN;Acid Pink M;Acid Red 186;Acid Red PBE;Alfast Red 5301;C.I. 18810;C.I. Acid Red 186;Chromolan Pink B;Dinacid Pink BE;Dycosacid Complex Pink B;Fast Pink BNI;Kemacid Red 186;Neolan Rose BE;Orcolan Fast Pink BN;Orcolan Fast Pink BN 200;Pacid Pink BE;Palatin Fast Pink BN;Palatin Fast Pink BNI;Palatine Fast Pink BN;TriametPink BEN;Vicoacid Pink 186;Vicoacid Pink BE;
EINECS:	258-095-1
PSA:	214.16000
LogP:	5.13030

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Specification

The Acid Red 186 , with cas registry number of 52677-44-8, is a kind of Organometallics. It also has other registry numbers including 51022-91-4, 6717-33-5, 70833-35-1. Its EINECS registry number is 258-095-1. This chemical is also known as Chromolan Pink B ; Dinacid Pink BE ; Dycosacid Complex Pink B ; Fast Pink BNI ; Kemacid Red 186 ; Neolan Rose BE ; Orcolan Fast Pink BN . Its systematic name is called chromium(3+) sodium 4-{(E)-[3-methyl-5-oxido-1-(3-sulfonatophenyl)-1H-pyrazol-4-yl]diazenyl}-3-oxidonaphthalene-1-sulfonate (1:1:1) .

Physical properties about this chemical are: (1) ACD/LogP: -0.40 ; (2) # of Rule of 5 Violations: 2 ; (3) ACD/LogD (pH 5.5): -5 ; (4) ACD/LogD (pH 7.4): -5.83 ; (5) ACD/BCF (pH 5.5): 1 ; (6) ACD/BCF (pH 7.4): 1 ; (7) ACD/KOC (pH 5.5): 1 ; (8) ACD/KOC (pH 7.4): 1 ; (9) #H bond acceptors: 12 ; (10) #H bond donors: 4 ; (11) #Freely Rotating Bonds: 7; (12) Polar Surface Area: 208.5 Å².

You can still convert the following datas into molecular structure:
(1) SMILES:[Cr+3].[Na+].[O-]S(=O)(=O)c4c1c(cccc1)c(/N=N/c3c(nn(c2cc(ccc2)S([O-])(=O)=O)c3[O-])C)c([O-])c4;
(2) InChI:InChI=1/C20H16N4O8S2.Cr.Na/c1-11-18(20(26)24(23-11)12-5-4-6-13(9-12)33(27,28)29)21-22-19-15-8-3-2-7-14(15)17(10-16(19)25)34(30,31)32;;/h2-10,25-26H,1H3,(H,27,28,29)(H,30,31,32);;/q;+3;+1/p-4/b22-21+;;;
(3) InChIKey:SUGQROYVAPRJDX-KUGVTWKMBL