The IUPAC name of Chromeazurol B is disodium 5-[(E)-(3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2,6-dichlorophenyl)methyl]-2-hydroxy-3-methylbenzoate. With the CAS registry number 1796-92-5, it is also named as Aizen Chrome Pure Blue BH. Besides, it is orange-red powder, which is slightly soluble in cold water, but soluble in hot water. In addition, its molecular formula is C23H14Cl2Na2O6 and molecular weight is 503.24.
The other characteristics of this product can be summarized as: (1)EINECS: 217-279-1; (2)ACD/LogP: 5.87; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 1.13; (5)ACD/LogD (pH 7.4): 1.12; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 6; (11)#H bond donors: 3; (12)#Freely Rotating Bonds: 5; (13)Polar Surface Area: 100.9 Å2; (14)Flash Point: 366.9 °C; (15)Water Solubility: 100g/L at 80 °C; (16)Enthalpy of Vaporization: 105.23 kJ/mol; (17)Boiling Point: 683 °C at 760 mmHg; (18)Vapour Pressure: 1.37E-19 mmHg at 25 °C.
Preparation and Uses of Chromeazurol B: frist of all, please condense 2-Hydroxy-3-toluic acid and 2,6-Dichlorobenzene. You will obtain this chemical after oxidation, alkali fusion, salting out, filtration and drying. Moreover, this product is mainly used for dyeing of leather, silk, nylon and wool. It also can be used for direct printing of wool fabrics. Furthermore, it is used for determination of serum iron. This chemical is also used as pigment.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. Please do not breathe dust. And you should avoid contact with skin and eyes.
People can use the following data to convert to the molecule structure.
(1)SMILES: [Na+].[Na+].O=C([O-])\C1=C\C(\C=C(/C1=O)C)=C(/c2cc(C([O-])=O)c(O)c(c2)C)c3c(Cl)cccc3Cl
(2)InChI: InChI=1/C23H16Cl2O6.2Na/c1-10-6-12(8-14(20(10)26)22(28)29)18(19-16(24)4-3-5-17(19)25)13-7-11(2)21(27)15(9-13)23(30)31;;/h3-9,26H,1-2H3,(H,28,29)(H,30,31);;/q;2*+1/p-2/b18-13+
(3)InChIKey: JROAZQFKSSYEBL-TWCIRAHUBB
(4)Std. InChI: InChI=1S/C23H16Cl2O6.2Na/c1-10-6-12(8-14(20(10)26)22(28)29)18(19-16(24)4-3-5-17(19)25)13-7-11(2)21(27)15(9-13)23(30)31;;/h3-9,26H,1-2H3,(H,28,29)(H,30,31);;/q;2*+1/p-2/b18-13+
(5)Std. InChIKey: JROAZQFKSSYEBL-YWABOPJLSA-L
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