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| CAS No.: | 10127-27-2 |
|---|---|
| Name: | ACID ORANGE 74 |
| Molecular Structure: | |
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| Formula: | C16H11CrN5NaO8S |
| Molecular Weight: | 508.34 |
| Synonyms: | C.I.Acid Orange 74 (8CI);Chromate(1-),[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulfonato(3-)]hydroxy-,sodium;Chromate(1-), [3-[[4,5-dihydro-3-methyl-5-(oxo-kO)-1-phenyl-1H-pyrazol-4-yl]azo-kN1]-2-(hydroxy-kO)-5-nitrobenzenesulfonato(3-)]hydroxy-,sodium, (T-4)- (9CI);Acid Orange 74;Acid Orange GA;Alfast Orange 5201;Aluminium Golden LR;AluminiumOrange G;C.I. 18745;C.I. Acid Orange 125;Chromolan Orange G;ChromolanOrange GN;DycosacidComplex Orange GEN;Efdolan Orange GEN;Eriolan Orange GL;Fabracid Orange A-G;Fenapal Orange GE;Gycolan Orange GL;Indacid Orange G;Inochrome Orange J;Inoderme OrangeJ;Neolan Orange P;Orasol Orange GRW;Oxanal Orange G;Palatin Fast Orange GEN;Palatine Fast Orange GEN;Pharmalan Orange GN;Pilate Fast Orange GEN;Savinyl Orange GRL;Stenamina Orange BG;Sumilan Orange G;Vali Fast Orange 3206;Vicoacid Orange G;Victalan Orange G;Vitrolan Orange G; |
| EINECS: | 233-357-8 |
| Density: | 1.69g/cm3 at 19.96℃ |
| Appearance: | red-brown to brown powder |
| Safety: | 24/25 |
| PSA: | 194.40000 |
| LogP: | 4.42360 |
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Specification
The Acid Orange 74 belongs to the categories of Dyes and Pigments; Organometallics; Stains and Dyes; Stains&Dyes, A to. With cas registry number of 10127-27-2, it also has other registry numbers which include 12220-13-2, 82249-45-4. Its EINECS registry number is 233-357-8. This chemical is also known as Chromate(1-), (3-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-2-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))hydroxy-, sodium (1:1), (T-4)- . Its systematic name is called chromium(3+) sodium hydroxide 3-[(E)-(3-methyl-5-oxido-1-phenyl-1H-pyrazol-4-yl)diazenyl]-5-nitro-2-oxidobenzenesulfonate (1:1:1:1) . This chemical has appearance of red-brown to brown powder. Avoid contact with skin and eyes when you are using it.
Physical properties about this chemical are: (1) ACD/LogP: 2.86 ; (2) # of Rule of 5 Violations: 1 ; (3) ACD/LogD (pH 5.5): -1.27 ; (4) ACD/LogD (pH 7.4): -2.16 ; (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: 12 ; (10) #H bond donors: 3 ; (11) #Freely Rotating Bonds: 7 ; (12) Polar Surface Area: 191.57 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cr+3].[Na+].[OH-].[O-][N+](=O)c3cc(/N=N/c2c(nn(c1ccccc1)c2[O-])C)c([O-])c(c3)S([O-])(=O)=O;
(2)InChI: InChI=1/C16H13N5O7S.Cr.Na.H2O/c1-9-14(16(23)20(19-9)10-5-3-2-4-6-10)18-17-12-7-11(21(24)25)8-13(15(12)22)29(26,27)28;;;/h2-8,22-23H,1H3,(H,26,27,28);;;1H2/q;+3;+1;/p-4/b18-17+;;; ;
(3)InChIKey: DFUHZEIMQHFCKR-NANGTUGFBR