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1-Naphthalenesulfonicacid, 6-[2-(5-chloro-2-hydroxy-3-sulfophenyl)diazenyl]-5-hydroxy-, sodium salt(1:2) (3624-68-8)

Identification
Name:1-Naphthalenesulfonicacid, 6-[2-(5-chloro-2-hydroxy-3-sulfophenyl)diazenyl]-5-hydroxy-, sodium salt(1:2)
Synonyms:1-Naphthalenesulfonicacid, 6-[(5-chloro-2-hydroxy-3-sulfophenyl)azo]-5-hydroxy-, disodium salt(9CI);C.I. Mordant Blue 9 (7CI);C.I. Mordant Blue 9, disodium salt (8CI);Acid Chrome Blue Black K;Acid Chrome Blue RRA;Acid Tertrochrome Blue 2R;Alizarine Chrome Blue RR;C.I. 14855;Chrome Blue Black K;Chrome Fast BlueACB;Diadem Chrome Fast Navy 2R;Diamond Fast Dark Blue RRL;Durochrome FastNavy 2R;Erio Chrome Violet 5B;Eriochrome Blue A3R;Fast Chrome Navy RL;Fenakrom Blue R;Mordant Blue 9;Omega Chrome Blue GFS;Sodium 6-(2-hydroxy-3-sulfo-5-chlorophenylazo)-2-hydroxy-1-naphthalenesulfonate;Solochrome Fast Navy 2R;Solochrome Fast Navy 2RS;Superchrome Blue 2R;Tulachrome Blue 2R;
CAS:3624-68-8
EINECS: 222-828-3
Molecular Formula: C16H11ClN2O8S2. 2Na
Molecular Weight: 502.81
InChI: InChI=1/C16H11ClN2O8S2.2Na/c17-8-6-12(16(21)14(7-8)29(25,26)27)19-18-11-5-4-9-10(15(11)20)2-1-3-13(9)28(22,23)24;;/h1-7,20-21H,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b19-18-;;
Molecular Structure: (C16H11ClN2O8S2.2Na) 1-Naphthalenesulfonicacid, 6-[(5-chloro-2-hydroxy-3-sulfophenyl)azo]-5-hydroxy-, disodium salt(9CI);...
Properties
Flash Point: °C
Boiling Point: °Cat760mmHg
Density:g/cm3
Stability:Stable under normal temperatures and pressures.
Appearance:dark blue powder
Specification:

The Mordant Blue 9, with the CAS registry number 3624-68-8, has the IUPAC name of disodium (6E)-6-[(5-chloro-2-hydroxy-3-sulfonatophenyl)hydrazinylidene]-5-oxonaphthalene-1-sulfonate. For being a kind of dark blue fine crystalline powder, it is usually applied in the dyeing of wool top and woolen fabric and others. Besides, it belongs to the product categories of dyes and pigments. When you are using this chemical, you should avoid contacting with eyes and skin.

The characteristics of this chemical are as follows: (1)#H bond acceptors: 10; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 196.34; (5)Exact Mass: 501.928424; (6)MonoIsotopic Mass: 501.928424; (7)Topological Polar Surface Area: 193; (8)Heavy Atom Count: 31; (9)Complexity: 895; (10)Defined Bond StereoCenter Count: 1; (11)Covalently-Bonded Unit Count: 3.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=CC(=NNC3=CC(=CC(=C3O)S(=O)(=O)[O-])Cl)C2=O)C(=C1)S(=O)(=O)[O-
].[Na+].[Na+]
(2)Isomeric SMILES: C1=CC2=C(C=C/C(=N\NC3=CC(=CC(=C3O)S(=O)(=O)[O-])Cl)/C2=O)C(=C1)S(=O)(=O)
[O-].[Na+].[Na+]
(3)InChI: InChI=1S/C16H11ClN2O8S2.2Na/c17-8-6-12(16(21)14(7-8)29(25,26)27)19-18-11-5-4-9-10(15(11)20)2-1-3-13(9)28(22,23)24;;/h1-7,19,21H,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b18-11+;;
(4)InChIKey: XMEHIZUKQSFTIB-UMVVUDSKSA-L 

Flash Point: °C
Storage Temperature: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Usage:Used in the preparation of ink, or printing ink, the dyeing of leather.
Safety Data
 

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