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6860-97-5

Basic Information
CAS No.: 6860-97-5
Name: 4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonic acid
Article Data: 2
Molecular Structure:
Molecular Structure of 6860-97-5 (4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonic acid)
Formula: C17H15NO9S3
Molecular Weight: 473.505
Synonyms: 1-Naphthol-3,6-disulfonicacid, 8-p-toluenesulfonamido- (6CI);2,7-Naphthalenedisulfonic acid,4-hydroxy-5-p-toluenesulfonamido- (8CI);1-(p-Tolylsulfonylamino)-8-hydroxy-3,6-naphthalenedisulfonic acid;8-Hydroxy-1-(p-tolylsulfonylamino)-3,6-naphthalenedisulfonic acid;N-p-Tosyl-Hacid;
EINECS: 229-959-5
Density: 1.734 g/cm 3
PSA: 200.28000
LogP: 5.46340
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Specification

The 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-(((4-methylphenyl)sulfonyl)amino)- is a organic compound with the fomular C17H15NO9S3. The IUPAC name of this product is 4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2,7-disulfonic acid . With the CAS registry number 6860-97-5, it is also named as 4-Hydroxy-5-(((p-tolyl)sulphonyl)amino)naphthalene-2,7-disulphonicacid . It is a chemical which is toxic if swallowed. And the price of this product chenges with the market.

The other characteristics of this product can be summarized as: (1)ACD/BCF (pH 5.5): 1 ; (2)ACD/BCF (pH 7.4): 1 ; (3)ACD/KOC (pH 5.5): 1 ; (4)ACD/KOC (pH 7.4): 1 ; (5)#H bond acceptors: 10 ; (6)#H bond donors: 4 ; (7)#Freely Rotating Bonds: 5 ; (8)Index of Refraction: 1.724 ; (9)Molar Refractivity: 108.33 cm3 ; (10)Molar Volume: 272.9 cm3 ; (11)Polarizability: 42.94×10-24 cm3 ; (12)Surface Tension: 87 dyne/cm ; (13)Rotatable Bond Count: 5 ; (14)Tautomer Count: 18 ; (15)Exact Mass: 472.990893 ; (16)MonoIsotopic Mass: 472.990893 ; (17)Topological Polar Surface Area: 200 ; (18)Heavy Atom Count: 30 ; (19)Complexity: 922.

People can use the following data to convert to the molecule structure. SMILES: O=S(=O)(c1ccc(cc1)C)Nc2cc(cc3cc(cc(O)c23)S(=O)(=O)O)S(=O)(=O)O; InChI: InChI=1/C17H15NO9S3/c1-10-2-4-12(5-3-10)28(20,21)18-15-8-13(29(22,23)24)6-11-7-14(30(25,26)27)9-16(19)17(11)15/h2-9,18-19H,1H3,(H,22,23,24)(H,25,26,27).