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| CAS No.: | 5610-64-0 |
|---|---|
| Name: | Acid Black 52 |
| Molecular Structure: | |
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| Formula: | C60H36Cr2N9O21S3.3Na |
| Molecular Weight: | 1488.13 |
| Synonyms: | C.I. AcidBlack 52, sodium salt (8CI);Chromium,3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-7-nitro-1-naphthalenesulfonic acidcomplex;Acid Black M;Acid Black MSh;Acid Black WA;Acid Complex Black WAN;Acid Milling Black WA;Aizen Opal Black WGH;Aluminum Black V;Amasol Black WA;Aminyl Black F-GL;Anadurm Black P-WA;Black 7EMBL;Black EMB;Calcofast Leather Black WA;Calcofast WoolBlack WA;Chromacyl Black W;Chrome Intra Black WA;Chromolan Black NWA;Chromolan Black WA;Cololan Black WAR;Colorosacid Black 52;Covalene Black WA;Efdolan Black WAN;Eriolan Black WAL;Esgylan Black WA;Gycolan Black WAL;Indacid Black WA;Inoderme Grey B;Irgasperse Black R-U;Kemacid Black WA;Lanyl Black GW;Monacid Black WA;Navitan Black WA;Neolan Black ALU;Neolan Black J;Neolan Black WA 140;Neolan Black WA Extra N;Neutral Grey 3BLS;Pacid Black WA;Palatin Fast BlackWAN;Polfalan Black SRBL;Printing Black for Silk BW;Ravi Acid Black WA;Solcoderm Black FV;Sumilan Black WA;Triamet BlackWA;Vana Acid Black;Vicoacid Black WA;Victalan Black;Vitrolan Black WA;Wana Acid Black;Yamada Neo FastBlack WA; |
| EINECS: | 227-029-3 |
| Density: | 1.64g/cm3 |
| Appearance: | black powder |
| Safety: | 24/25 |
| PSA: | 529.74000 |
| LogP: | 18.70770 |
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Specification
The IUPAC name of C.I. Acid Black 52 is trisodium; chromium;4-[(2-hydroxynaphthalen-1-yl)hydrazinylidene]-7-nitro-3-oxonaphthalene-1-sulfonate. With the CAS registry number 5610-64-0, it is also named as 3-Hydroxy-4-((2-hydroxy-1-naphthalenyl)azo)-7-nitro-1-naphthalenesulfonic acid, monosodium salt, chromium complex. The product's categorie is UVCBs-organometallic. It is black powder which should be avoided contact with skin and eyes. The other registry numbers are 10279-69-3, 12392-58-4 and 34464-60-3.
The other characteristics of this product can be summarized as: (1)H-Bond Donor: 6; (2)H-Bond Acceptor: 27; (3)Rotatable Bond Count: 6; (4)Tautomer Count: 946; (5)Exact Mass: 1486.969119; (6)MonoIsotopic Mass: 1486.969119; (7)Topological Polar Surface Area: 519; (8)Heavy Atom Count: 98; (9)Complexity: 891; (10)Undefined Bond StereoCenter Count: 3; (11)Covalently-Bonded Unit Count: 8.
People can use the following data to convert to the molecule structure.
1. Smiles: c12c(ccc(c2)[N+](=O)[O-])c(c(O)cc1S(=O)(=O)[O-])\N=N\c1c2c(ccc1O)cccc2.c12c(c(c(O)cc1S(=O)(=O)[O-])\N=N\c1c3c(ccc1O)cccc3)ccc(c2)[N+](=O)[O-].c12c(c(c(O)cc1S(=O)(=O)O)\N=N\c1c3c(ccc1O)cccc3)ccc(c2)[N+](=O)[O-].[Cr].[Cr].[Na+].[Na+];
2. InChI: InChI=1/3C20H13N3O7S.2Cr.2Na/c3*24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;;;;/h3*1-10,24-25H,(H,28,29,30);;;;/q;;;;;2*+1/p-2/b3*22-21+;;;;.