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1-Naphthalenesulfonicacid, 6-[2-(4-aminophenyl)diazenyl]-5-hydroxy-, sodium salt (1:1) (5858-51-5)

Identification
Name:1-Naphthalenesulfonicacid, 6-[2-(4-aminophenyl)diazenyl]-5-hydroxy-, sodium salt (1:1)
Synonyms:1-Naphthalenesulfonicacid, 6-[(4-aminophenyl)azo]-5-hydroxy-, monosodium salt (9CI);C.I. Acid Brown4 (7CI);C.I. Acid Brown 4, monosodium salt (8CI);Acid Brown 4;Acilan BrownR;C.I. 14805;Multacid Brown R;Neptune Brown RX;Solar Brown RKX;
CAS:5858-51-5
EINECS: 227-492-1
Molecular Formula: C16H13 N3 O4 S . Na
Molecular Weight: 365.33
InChI: InChI=1/C16H13N3O4S.Na/c17-10-4-6-11(7-5-10)18-19-14-9-8-12-13(16(14)20)2-1-3-15(12)24(21,22)23;/h1-9,20H,17H2,(H,21,22,23);/q;+1/p-1/b19-18+;
Molecular Structure: (C16H13N3O4S.Na) 1-Naphthalenesulfonicacid, 6-[(4-aminophenyl)azo]-5-hydroxy-, monosodium salt (9CI);C.I. Acid Brown4...
Properties
Flash Point: °C
Boiling Point: °Cat760mmHg
Density:g/cm3
Specification:

The Acid Brown 4, with the cas register number 5858-51-5, has the IUPAC name of Sodium (6E)-6-[(4-aminophenyl)hydrazinylidene]-5-oxonaphthalene-1-sulfonate. And with the EINECS number 227-492-1, its systematic Name is Sodium 6-((4-aminophenyl)azo)-5-hydroxynaphthalene-1-sulphonate.  

The characteristics of this chemical are as follows: (1)Exact Mass:365.044621; (2)MonoIsotopic Mass: 365.044621; (3)Topological Polar Surface Area: 133; (4)Heavy Atom Count: 25; (5)Complexity: 651; (6)Defined Bond StereoCenter Count: 1; (7)Covalently-Bonded Unit Count: 2; (8)ACD/LogP: 0.21; (9)ACD/LogD (pH 5.5): -2; (10)ACD/LogD (pH 7.4): -3; (11)ACD/BCF (pH 5.5): 1; (12)ACD/BCF (pH 7.4): 1; (13)ACD/KOC (pH 5.5): 1; (14)ACD/KOC (pH 7.4): 1; (15)#H bond acceptors: 7; (16)#H bond donors: 4; (17)#Freely Rotating Bonds: 4; (18)Polar Surface Area: 98.66.

In addition, you could obtain the molecular structure by converting the following datas:
(1)SMILES:
[Na+].[O-]S(=O)(=O)c1cccc3c1\C=C/C(=N\Nc2ccc(N)cc2)C3=OCopyCopied
(2)InChI:InChI=1/C16H13N3O4S.Na/c17-10-4-6-11(7-5-10)18-19-14-9-8-12-13(16(14)20)2-1-3-15(12)24(21,22)23;/h1-9,18H,17H2,(H,21,22,23);/q;+1/p-1/b19-14+; CopyCopied
(3)InChIKey:AVULUSFAVFJIOG-LUNVNUMUBS

Flash Point: °C
Safety Data
 

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