CAS No.63451-35-4,HYDROXYNAPHTHOL BLUE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	63451-35-4
Name:	HYDROXYNAPHTHOL BLUE

Formula:	C₂₀H₁₁N₂Na₃O₁₁S₃
Molecular Weight:	620.4724
Synonyms:	2,7-Naphthalenedisulfonicacid, 3-hydroxy-4-[(2-hydroxy-4-sulfo-1-naphthalenyl)azo]-, trisodium salt(9CI);Hydroxy naphthol blue;
EINECS:	264-197-7
Solubility:	Soluble in water
Appearance:	blue crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	261.92000
LogP:	5.77430

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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