CAS No.1796-92-5,Chromeazurol B Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1796-92-5
Name:	Chromeazurol B

Formula:	C₂₃H₁₄Cl₂Na₂O₆
Molecular Weight:	503.24
Synonyms:	Benzoicacid,5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichlorophenyl)methyl]-2-hydroxy-3-methyl-,disodium salt (9CI);C.I. Mordant Blue 1 (7CI);C.I. Mordant Blue 1, disodiumsalt (8CI);Chromoxane Pure Blue B (6CI);Acid Mordant Blue B;Aizen ChromePure Blue BH;Atlantichrome Brilliant Blue B;C.I. 43830;Calcochrome Brilliant Blue BBG;Chromaven Brilliant Blue B;Chrome Fast Blue BX;Chrome Fast Blue GBX;Chrome Fast Pure Blue B;Chromoxane Pure Blue BA;Diamond Chrome Pure Blue B;Diamond Pure Blue B;Erio Chrome Azurole BC-RS;Eriochromal Azurol B;Mitsui Chrome Pure Blue BX;Omega Chrome Azurine B;Omega Chrome Brilliant Blue 2BR;Pontachrome Azure Blue B;Shimazaki ChromePure Blue BX;Solochrome Azurine B200;Solochrome Leather Blue B;Synchromate Pure Blue2B;Tertrochrome Sky Blue AB;
EINECS:	217-279-1
Density:	1.515g/cm3
Boiling Point:	683ºC at 760mmHg
Flash Point:	366.9ºC
Risk Codes:	36/37/38
Safety:	22-24/25
PSA:	111.90000
LogP:	5.04750

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Specification

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