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| CAS No.: | 3624-68-8 |
|---|---|
| Name: | 6-(5-Chloro-2-hydroxy-4-sulfophenylazo)-5-hydroxy-1-naphthalenesulfonic acid disodium salt |
| Molecular Structure: | |
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| Formula: | C16H11ClN2O8S2. 2Na |
| Molecular Weight: | 502.81 |
| Synonyms: | C.I. Mordant Blue 9 (7CI);Acid Chrome Blue Black K;Acid Chrome Blue RRA;Alizarine Chrome Blue RR;C.I. 14855;Chrome Fast BlueACB;Diadem Chrome Fast Navy 2R;Diamond Fast Dark Blue RRL;Durochrome FastNavy 2R;Eriochrome Blue A3R;Fast Chrome Navy RL;Fenakrom Blue R;Omega Chrome Blue GFS;Solochrome Fast Navy 2R;Superchrome Blue 2R; |
| EINECS: | 222-828-3 |
| Appearance: | dark blue powder |
| Safety: | 24/25 |
| PSA: | 196.34000 |
| LogP: | 5.28960 |
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- Total:30 Page 1 of 1 1
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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