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| CAS No.: | 10343-58-5 |
|---|---|
| Name: | ACID YELLOW 99 |
| Molecular Structure: | |
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| Formula: | C16H12CrN4NaO9S |
| Molecular Weight: | 511.34 |
| Synonyms: | C.I.Acid Yellow 99 (8CI);Chromate(1-), hydroxy[2-(hydroxy-kO)-5-nitro-3-[[2-(oxo-kO)-1-[(phenylamino)carbonyl]propyl]azo-kN1]benzenesulfonato(3-)]-,sodium, (T-4)- (9CI);Chromate(1-),hydroxy[2-hydroxy-5-nitro-3-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]benzenesulfonato(3-)]-,sodium;Acid Yellow 99;Acid Yellow GR;Aizen Opal Yellow GRH;Amalan Yellow GRL;Bucolan Yellow GR;C.I. 13900;Calcofast Leather Yellow R;Calcofast WoolYellow R;Chromacyl Yellow GR;Chromolan Yellow GR;Chromolan Yellow NGR;Cololan Yellow GR;Dinaiex Yellow GR;Efdolan Yellow GRN;Eriolan Yellow GRL;Esgylan Yellow GR;Gycolan Yellow GRL;Indacid Yellow GR;InochromeYellow JR;Kemacid Yellow;Naphthazine Yellow GR;NavitanYellow GR;Oxanal Yellow GR;Palatine Fast Yellow GRN;Palatine Fast Yellow GRNA-CF;Pilate Fast Yellow GRN;Shangdacid Fast Yellow GRN;Simacid Yellow24889;Sumilan Yellow GR;Tetroxane Yellow GR;TriametYellow GR;Vicoacid Yellow;Vitrolan YellowGR;Yamada Neo Fast Yellow GR; |
| EINECS: | 233-748-3 |
| Appearance: | dark yellow to brown fine powder |
| Safety: | 24/25 |
| PSA: | 205.68000 |
| LogP: | 4.39340 |
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Specification
The CAS register number of Acid Yellow 99 is 10343-58-5. It also can be called as Sodium hydroxy[2-hydroxy-5-nitro-3-[[2-oxo-1-(phenylcarbamoyl)propyl]azo]benzenesulphonato(3-)]chromate(1-) and the IUPAC name about this chemical is sodium; chromium(3+); (2Z)-2-[(5-nitro-2-oxido-3-sulfonatophenyl)hydrazinylidene]-3-oxo-N-phenylbutanimidate; hydroxide. The molecular formula about this chemical is C16H12CrN4NaO9S and the molecular weight is 511.34. It belongs to the following product categories, such as Dyes and Pigments; Organometallics; A; Stains and Dyes; Stains&Dyes, A to and so on. When you are using it, please avoid contact with skin and eyes.
Physical properties about Acid Yellow 99 are: (1)#H bond acceptors: 13; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 203.91Å2; (5)H-Bond Donor: 2; (6)H-Bond Acceptor: 12; (7)Rotatable Bond Count: 5; (8)Tautomer Count: 7; (9)Exact Mass: 510.96278; (10)MonoIsotopic Mass: 510.96278; (11)Topological Polar Surface Area: 212; (12)Heavy Atom Count: 32; (13)Complexity: 766; (14)Defined Bond StereoCenter Count: 1; (15)Covalently-Bonded Unit Count: 4.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-][N+](=O)c2cc1/N=N/C(=C(/C)O[Cr](O)Oc1c(c2)S([O-])(=O)=O)C(=O)Nc3ccccc3
(2)InChI: InChI=1/C16H14N4O8S.Cr.Na.H2O/c1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28;;;/h2-8,21-22H,1H3,(H,17,23)(H,26,27,28);;;1H2/q;+3;+1;/p-4/b14-9-,19-18+;;;/rC16H13CrN4O9S.Na/c1-9-14(16(22)18-10-5-3-2-4-6-10)20-19-12-7-11(21(24)25)8-13(31(26,27)28)15(12)30-17(23)29-9;/h2-8,23H,1H3,(H,18,22)(H,26,27,28);/q;+1/p-1/b14-9-,20-19+;
(3)InChIKey: XEAHZUQHDDJSJW-RHHAVJOMBV
(4)Std. InChI: InChI=1S/C16H14N4O8S.Cr.Na.H2O/c1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28;;;/h2-8,21-22H,1H3,(H,17,23)(H,26,27,28);;;1H2/q;+3;+1;/p-4/b14-9-,19-18+;;;
(5)Std. InChIKey: XEAHZUQHDDJSJW-OLHDMKQDSA-J