Mordant Blue 3 supplier | CasNO.3564-18-9

Name
Mordant Blue 3
EINECS 222-641-7
CAS No. 3564-18-9
Density
Solubility Soluble in water
Melting Point
Formula C₂₃H₁₅Na₃O₉S
Boiling Point
Molecular Weight 536.39
Flash Point
Transport Information
Appearance reddish blue powder
Safety 26-36-36/37-24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzoic acid,3,3'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[6-hydroxy-5-methyl-,trisodium salt (9CI);Benzoic acid,3,3'-(3H-2,1-benzoxathiol-3-ylidene)bis[6-hydroxy-5-methyl-, S,S-dioxide,trisodium salt;C.I. Mordant Blue 3 (7CI);Solochrome Cyanine R (6CI);Alizarol Cyanine RC;C.I. 43820;Chrome Cyanine R;Chromoxane Cyanin R;Diacromo Cyanine R;Diamond Cyanine R;EiochromeCyanine R;Eriochromcyanin No. 553;Eriochrome Cyanine RC;Mordant Blue 3;Pontachrome Blue ECR;Tertrochrome Cyanine CR;
PSA 183.14000
LogP 1.05620

Mordant Blue 3 Specification

The Mordant Blue 3, with CAS registry number 3564-18-9, belongs to the following product categories: Dyes and Pigments. It has the systematic name of trisodium 5-[(Z)-(3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2-sulfonatophenyl)methyl]-2-hydroxy-3-methylbenzoate.

Physical properties about this chemical are: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.4; (4)ACD/LogD (pH 7.4): -2.4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 9; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 163.65 Å².

When you are using this chemical, please be cautious about it as the following:
The Mordant Blue 3 irritates to eyes, respiratory system and skin. When use this chemical, avoid contact with skin and eyes. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[Na+].O=C([O-])\C1=C\C(\C=C(/C1=O)C)=C(\c2cc(C([O-])=O)c(O)c(c2)C)c3ccccc3S([O-])(=O)=O
(2)InChI: InChI=1/C23H18O9S.3Na/c1-11-7-13(9-16(20(11)24)22(26)27)19(15-5-3-4-6-18(15)33(30,31)32)14-8-12(2)21(25)17(10-14)23(28)29;;;/h3-10,24H,1-2H3,(H,26,27)(H,28,29)(H,30,31,32);;;/q;3*+1/p-3/b19-14-;;;
(3)InChIKey: FFUMCSDSJNSMQH-BVLIGXBUBL
(4)Std. InChI: InChI=1S/C23H18O9S.3Na/c1-11-7-13(9-16(20(11)24)22(26)27)19(15-5-3-4-6-18(15)33(30,31)32)14-8-12(2)21(25)17(10-14)23(28)29;;;/h3-10,24H,1-2H3,(H,26,27)(H,28,29)(H,30,31,32);;;/q;3*+1/p-3/b19-14-;;;
(5)Std. InChIKey: FFUMCSDSJNSMQH-LXGUGECZSA-K

Product Name

Mordant Blue 3

Mordant Blue 3 Specification

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