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| CAS No.: | 1058-92-0 |
|---|---|
| Name: | 2,7-Naphthalenedisulfonicacid, 3-[2-(5-chloro-2-hydroxyphenyl)diazenyl]-4,5-dihydroxy-, sodium salt(1:2) |
| Molecular Structure: | |
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| Formula: | C16H11ClN2O9S2. 2Na |
| Molecular Weight: | 518.81 |
| Synonyms: | 2,7-Naphthalenedisulfonicacid, 3-[(5-chloro-2-hydroxyphenyl)azo]-4,5-dihydroxy-, disodium salt (9CI);C.I. Mordant Blue 13 (7CI);C.I. Mordant Blue 13, disodium salt (8CI);Eriochrome Blue SE (6CI);Acid Alizarine Blue B;Acid Chrome Blue A;Alizarin Blue B;Atlantichrome Blue B;Azochromol Blue B;Chrome Blue BL;ChromeFast Blue 2B;Diacromo Blue SB;Diamond Fast Blue BL;Disodium1,8-dihydroxy-2-(2-hydroxy-5-chlorophenylazo)-3,6-naphthalenedisulfonate;ErioSE;Fast Mordant Blue B;Java Chrome Fast Blue B;Magracrom Blue A;Mordant Blue 13;Omega Chrome Fast Blue B;Omega Chrome Fast Blue BI;Symulon Fast Mordant Blue B;Tertrochrome Blue MB; |
| EINECS: | 213-894-4 |
| Density: | N/A |
| Melting Point: | N/A |
| Boiling Point: | N/A |
| Flash Point: | N/A |
| Solubility: | N/A |
| Appearance: | brown-black powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36 |
| Safety: | 39-26 |
| Transport Information: | N/A |
| PSA: | 216.57000 |
| LogP: | 4.99520 |
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The Mordant Blue 13, with the CAS registry number 1058-92-0, has the IUPAC name of disodium (3Z)-3-[(5-chloro-2-hydroxyphenyl)hydrazinylidene]-5-hydroxy-4-oxonaphthalene-2,7-disulfonate. For being a kind of brownish-black powder, it is soluble in ethanol and water, and its product categories are including organics. As to its usage, it is widely applied in many ways. It could be used in colouration of wool and silk and also in the Alumite.
The characteristics of this chemical are as follows: (1)#H bond acceptors: 11; (2)#H bond donors: 5; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 216.57; (5)Exact Mass: 517.923338; (6)MonoIsotopic Mass: 517.923338; (7)Topological Polar Surface Area: 213; (8)Heavy Atom Count: 32; (9)Complexity: 941; (10)Defined Bond StereoCenter Count: 1; (11)Covalently-Bonded Unit Count: 3.
When you are dealing with this chemical, you should be cautious. This is a kind of irritant chemical which is irritating to eyes, it may cause inflammation to the skin or other mucous membranes. Therefore, you should wear eye/face protection, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1Cl)NN=C2C(=CC3=CC(=CC(=C3C2=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-]
)O.[Na+].[Na+]
(2)Isomeric SMILES: C1=CC(=C(C=C1Cl)N/N=C/2\C(=CC3=CC(=CC(=C3C2=O)O)S(=O)(=O)[O-])S(=O)(=O)
[O-])O.[Na+].[Na+]
(3)InChI: InChI=1S/C16H11ClN2O9S2.2Na/c17-8-1-2-11(20)10(5-8)18-19-15-13(30(26,27)28)4-7-3-9(29(23,24)25)6-12(21)14(7)16(15)22;;/h1-6,18,20-21H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2/b19-15+;;
(4)InChIKey: RAIRBURLMTXYPH-WTBAQZMLSA-L
