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117-22-6

Basic Information
CAS No.: 117-22-6
Name: 1-Hydroxynaphthalene-8-sulfonic acid
Molecular Structure:
Molecular Structure of 117-22-6 (1-Hydroxynaphthalene-8-sulfonic acid)
Formula: C10H8O4S
Molecular Weight: 224.237
Synonyms: 1-Hydroxynaphthalene-8-sulfonicacid;1-Naphthol-8-sulfonic acid;8-Hydroxy-1-naphthalenesulfonic acid;NSC8626;Naphtholmonosulfonic acid S;a-Naphthol-8-sulfonic acid;
EINECS: 204-180-3
Density: 1.549 g/cm3
Appearance: gray to brown powder
Hazard Symbols: Xi
Risk Codes: R36/37/38
PSA: 82.98000
LogP: 2.87290
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  • 1-Naphthol-8-sulfonic acid  CAS NO.117-22-6

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Specification

The cas register number of 1-Naphthol-8-sulfonic acid is 117-22-6. It also can be called as 8-Hydroxy-1-naphthalenesulfonic acid and the IUPAC Name about this chemical is 8-hydroxynaphthalene-1-sulfonic acid. It belongs to the Intermediates of Dyes and Pigments.

Physical properties about 1-Naphthol-8-sulfonic acid are: (1)ACD/LogP: 0.96; (2)ACD/LogD (pH 5.5): -2.53; (3)ACD/LogD (pH 7.4): -2.55; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 60.98Å2; (12)Index of Refraction: 1.703; (13)Molar Refractivity: 56.18 cm3; (14)Molar Volume: 144.7 cm3; (15)Polarizability: 22.27x10-24cm3; (16)Surface Tension: 71.1 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1cccc2cccc(O)c12
(2)InChI: InChI=1/C10H8O4S/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14/h1-6,11H,(H,12,13,14)
(3)InChIKey: ZPLBZGGKAUXTRT-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C10H8O4S/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14/h1-6,11H,(H,12,13,14)
(5)Std. InChIKey: ZPLBZGGKAUXTRT-UHFFFAOYSA-N