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| CAS No.: | 2650-17-1 |
|---|---|
| Name: | Xylene Cyanole FF |
| Molecular Structure: | |
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| Formula: | C25H27N2NaO6S2 |
| Molecular Weight: | 538.621 |
| Synonyms: | 1,3-Benzenedisulfonicacid,4-[[4-(ethylamino)-3-methylphenyl][4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-,monosodium salt (9CI);C.I. Acid Blue 147 (7CI);C.I. Acid Blue 147, monosodiumsalt (8CI);Xylene Cyanole FF (6CI);Acid Blue 147;Acidine Pure Blue C Extra;Albion Xylene Cyanol;C.I. 42135;Cyanol Extra;Disulphine Blue FFN 200;ErioGlaucine FFX;Kiton Pure Blue FF;Merantine Blue FF;Xylene Blue FF;XyleneCyanol FF;Xylene cyanole; |
| EINECS: | 220-167-5 |
| Melting Point: | 295 °C |
| Solubility: | Soluble in water. |
| Appearance: | dark green or blue-grey crystals |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36-24/25 |
| PSA: | 152.72000 |
| LogP: | 6.59110 |
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Specification
The Xylene Cyanole FF, with the CAS registry number 2650-17-1, is also known as 1,3-Benzenedisulfonic acid, 4-((4-(ethylamino)-3-methylphenyl)(4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene)methyl)-, monosodium salt. Its EINECS registry number is 220-167-5. This chemical's molecular formula is C25H27N2NaO6S2 and molecular weight is 538.61. Its IUPAC name is called sodium 4-[[4-[2-[4-(ethylamino)-3-methylphenyl]ethylimino]-3-methylcyclohexa-2,5-dien-1-ylidene]methyl]-3-sulfobenzenesulfonate. The product should be sealed and stored in cool and dry place.
Physical properties of Xylene Cyanole FF: (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 8; (3)Rotatable Bond Count: 8; (4)Exact Mass: 538.120823; (5)MonoIsotopic Mass: 538.120823; (6)Topological Polar Surface Area: 153; (7)Heavy Atom Count: 36; (8)Formal Charge: 0; (9)Complexity: 1090; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 1; (15)Covalently-Bonded Unit Count: 2.
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: CCNC1=C(C=C(C=C1)CCN=C2C=CC(=CC3=C(C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)O)C=C2C)C.[Na+]
(2)InChI: InChI=1S/C25H28N2O6S2.Na/c1-4-26-23-9-5-19(13-17(23)2)11-12-27-24-10-6-20(14-18(24)3)15-21-7-8-22(34(28,29)30)16-25(21)35(31,32)33;/h5-10,13-16,26H,4,11-12H2,1-3H3,(H,28,29,30)(H,31,32,33);/q;+1/p-1
(3)InChIKey: UQGVMAOBDMCVOQ-UHFFFAOYSA-M