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Hydroxynaphthol blue

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Name

Hydroxynaphthol blue

EINECS 264-197-7
CAS No. 63451-35-4 Density N/A
PSA 261.92000 LogP 5.77430
Solubility Soluble in water Melting Point N/A
Formula C20H11N2Na3O11S3 Boiling Point N/A
Molecular Weight 620.4724 Flash Point N/A
Transport Information N/A Appearance blue crystalline powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 63451-35-4 (HYDROXYNAPHTHOL BLUE) Hazard Symbols IrritantXi
Synonyms

2,7-Naphthalenedisulfonicacid, 3-hydroxy-4-[(2-hydroxy-4-sulfo-1-naphthalenyl)azo]-, trisodium salt(9CI);Hydroxy naphthol blue;

 

Hydroxynaphthol blue Specification

The Hydroxynaphthol blue, with the CAS registry number 63451-35-4, is also known as 1,1'-Azonaphthalene, 2,2'-dihydroxy-3,3',6-trisulfonic acid-, trisodium salt. It belongs to the product category of Organics. Its EINECS registry number is 264-197-7. This chemical's molecular formula is C20H11N2Na3O11S3 and molecular weight is 620.47. Its IUPAC name is called trisodium 3-hydroxy-4-[2-(2-oxo-4-sulfonatonaphthalen-1-ylidene)hydrazinyl]naphthalene-2,7-disulfonate. This chemical is blue crystalline powder. The product should be sealed and stored in cool and dry place.

Physical properties of Hydroxynaphthol blue: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -5; (4)ACD/LogD (pH 7.4): -5; (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: 13; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=CC(=O)C2=NNC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
(2)InChI: InChI=1S/C20H14N2O11S3.3Na/c23-15-9-16(35(28,29)30)13-3-1-2-4-14(13)18(15)21-22-19-12-6-5-11(34(25,26)27)7-10(12)8-17(20(19)24)36(31,32)33;;;/h1-9,22,24H,(H,25,26,27)(H,28,29,30)(H,31,32,33);;;/q;3*+1/p-3
(3)InChIKey: JQECMNGWLIFQLL-UHFFFAOYSA-K

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