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5419-77-2

Basic Information
CAS No.: 5419-77-2
Name: Sodium 5-hydroxynaphthalene-1-sulphonate
Molecular Structure:
Molecular Structure of 5419-77-2 (Sodium 5-hydroxynaphthalene-1-sulphonate)
Formula: C10H7NaO4S
Molecular Weight: 246.219
Synonyms: 1-Naphthalenesulfonicacid, 5-hydroxy-, monosodium salt (8CI,9CI);1-Naphthol-5-sodium sulfonate;1-Naphthol-5-sulfonicacid sodium salt;Sodium 1-naphthol-5-sulfonate;Sodium5-hydroxy-1-naphthalenesulfonate;Sodium 5-hydroxynaphthalenesulfonate;
EINECS: 226-530-4
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 85.81000
LogP: 2.53030
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Specification

The cas register number of Sodium 5-hydroxynaphthalene-1-sulphonate is 5419-77-2. It also can be called as 1-Naphthalenesulfonic acid, 5-hydroxy-, monosodium salt and the IUPAC Name about this chemical is sodium 5-hydroxynaphthalene-1-sulfonate. It belongs to the Intermediates of Dyes and Pigments.

Physical properties about Sodium 5-hydroxynaphthalene-1-sulphonate are: (1)26-36/37/39ACD/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: 71.98Å2.

Uses of Sodium 5-hydroxynaphthalene-1-sulphonate: it can be used to produce sodium 1-phenylsulfonyloxynaphthalene-5-sulfonate with benzenesulfonyl chloride at temperature not higher than 25 deg C. This reaction will need reagent Na2CO3 and solvent H2O with reaction time of 1.5 hours. The yield is about 78% .

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]S(=O)(=O)c1cccc2c1cccc2O
(2)InChI: InChI=1/C10H8O4S.Na/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14;/h1-6,11H,(H,12,13,14);/q;+1/p-1
(3)InChIKey: HWQLBKMVMXBGRC-REWHXWOFAI
(4)Std. InChI: InChI=1S/C10H8O4S.Na/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14;/h1-6,11H,(H,12,13,14);/q;+1/p-1
(5)Std. InChIKey: HWQLBKMVMXBGRC-UHFFFAOYSA-M