Rhoduline acid supplier | CasNO.87-03-6

Name
5,5'-Dihydroxy-2,2'-dinaphthylamine-7,7'-disulphonic acid
EINECS 201-719-4
CAS No. 87-03-6
Density 1.734 g/cm³
Solubility 36.1g/L
Melting Point
Formula C₂₀H₁₅NO₈S₂
Boiling Point 772.18℃[at 101 325 Pa]
Molecular Weight 461.473
Flash Point
Transport Information
Appearance Grey-yellow Paste
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Naphthol-3-sulfonicacid, 6,6'-iminobis- (6CI);5,5'-Dihydroxy-2,2'-dinaphthylamine-7,7'-disulfonicacid;5,5'-Dihydroxy-7,7'-disulfonic-2,2'-dinaphthylamine;6,6'-Iminobis[1-hydroxy-3-sulfonaphthalene];Bis(1-hydroxy-3-sulfo-6-naphthyl)amine;Bis(5-hydroxy-7-sulfo-2-naphthyl)amine;Di(5-hydroxy-7-sulfo-2-naphthyl)amine;Di-J acid;NCI 1698;NSC 1698;NSC 37203;RW acid;Rhoduline Acid;
PSA 177.99000
LogP 5.87580

Rhoduline acid Specification

The Rhoduline acid, with the CAS registry number 87-03-6 and EINECS registry number 201-719-4, has the systematic name of 7,7'-iminobis(4-hydroxynaphthalene-2-sulfonic acid). The molecular formula of the chemical is C₂₀H₁₅NO₈S₂. And it belongs to the product category of Intermediates of Dyes and Pigments.

The characteristics of this chemical are as followings: (1)ACD/LogP: -1.83; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -6.33; (4)ACD/LogD (pH 7.4): -6.36; (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: 9; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 125.2 Å²; (13)Index of Refraction: 1.802; (14)Molar Refractivity: 113.98 cm³; (15)Molar Volume: 266.1 cm³; (16)Polarizability: 45.18×10^-24cm³; (17)Surface Tension: 97.2 dyne/cm; (18)Density: 1.734 g/cm³.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(O)c2cc1cc(ccc1c(O)c2)Nc3ccc4c(c3)cc(cc4O)S(=O)(=O)O
(2)InChI: InChI=1/C20H15NO8S2/c22-19-9-15(30(24,25)26)7-11-5-13(1-3-17(11)19)21-14-2-4-18-12(6-14)8-16(10-20(18)23)31(27,28)29/h1-10,21-23H,(H,24,25,26)(H,27,28,29)
(3)InChIKey: BQVLLTHCZQAJNH-UHFFFAOYAV

Product Name

5,5'-Dihydroxy-2,2'-dinaphthylamine-7,7'-disulphonic acid

Rhoduline acid Specification

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