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| CAS No.: | 157577-99-6 |
|---|---|
| Name: | Acid Black 234 |
| Molecular Structure: | |
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| Formula: | C34H26N10Na2O9S3 |
| Molecular Weight: | 860.80 |
| Synonyms: | 2,7-Naphthalenedisulfonicacid,4-amino-3-[[4-[[[4-[(2,4-diaminophenyl)azo]phenyl]sulfonyl]amino]phenyl]azo]-5-hydroxy-6-(phenylazo)-,disodium salt (9CI);Acid Black NR;C.I. Acid Black 234;Coriamine Black NB-G;Formo Leather Black;Lecotan Black GW;Sandal Acid Black NB-G;Vicoacid Black234; |
| EINECS: | 605-104-5 |
| Density: | 1.193[at 20℃] |
| Solubility: | 215g/L at 20℃ |
| PSA: | 358.16000 |
| LogP: | 12.20620 |
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Specification
The IUPAC name of Acid Black 234 is sodium (6Z)-4-amino-3-[[4-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]sulfonylamino]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate. With the CAS registry number 157577-99-6, it is also named as 2,7-Naphthalenedisulfonic acid, 4-amino-3-((4-(((4-((2,4-diaminophenyl)azo)phenyl)sulfonyl)amino)phenyl)azo)-5-hydroxy-6-(phenylazo)-, disodium salt. The product's categories are Leather Dyes; Dyes and Pigments; Acid Dyes; Dyes; Weak Acid Dyes. In addition, its molecular formula is C34H26N10Na2O9S3 and molecular weight is 860.80.
The other characteristics of this product can be summarized as: (1)H-Bond Donor: 5; (2)H-Bond Acceptor: 19; (3)Rotatable Bond Count: 9; (4)Tautomer Count: 624; (5)Exact Mass: 837.094404; (6)MonoIsotopic Mass: 837.094404; (7)Topological Polar Surface Area: 355; (8)Heavy Atom Count: 57; (9)Formal Charge: -1; (10)Complexity: 1830.
Preparation and Uses of Acid Black 234: please dizotize 4,4'-Diamido-phenylsulfonyl-aniline and Aniline. And then put the resultants to couple with H acid. At last, put the resultant to couple with m-Phenylenediamine. You will obtain this chemical after salting out, filtration, drying and crushing. Moreover, this product is used for dyeing of wool, silk, cotton and viscose. It also can be used to dye leather.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1=CC=C(C=C1)NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)N=NC6=C(C=C(C=C6)N)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]
(2)Isomeric SMILES: C1=CC=C(C=C1)N/N=C/2\C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)N=NC6=C(C=C(C=C6)N)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]
(3)InChI: InChI=1S/C34H28N10O9S3.Na/c35-20-6-15-27(26(36)18-20)41-38-23-11-13-25(14-12-23)54(46,47)44-24-9-7-22(8-10-24)40-42-32-28(55(48,49)50)16-19-17-29(56(51,52)53)33(34(45)30(19)31(32)37)43-39-21-4-2-1-3-5-21;/h1-18,39,44H,35-37H2,(H,48,49,50)(H,51,52,53);/q;+1/p-2/b41-38?,42-40,43-33+
(4)InChIKey: LWGOAQMDPBXUQO-JTHBLFRZSA-L