-
Name
Acid Yellow 72
- EINECS 258-026-5
- CAS No. 52584-47-1
- Density g/cm3
- Solubility
- Melting Point
- Formula C28H36 Cl2 N4 O4 S . Na
- Boiling Point °Cat760mmHg
- Molecular Weight 617.5627
- Flash Point °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Benzenesulfonicacid,2,5-dichloro-4-[4-[(4-dodecylphenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-,sodium salt (9CI);Acid Milling Yellow 3G;Acid Yellow 3GS;Acid Yellow 72;C.I. Acid Yellow 72;Carbolan Yellow 3G;Kayanol Milling Yellow 3GW;NylomineAcid Yellow C 3G;Nylomine Acid Yellow P 3G;Suminol Milling Yellow 3G;
- PSA 120.14000
- LogP 9.15990
Acid Yellow 72 Specification
The Acid Yellow 72, with its cas register number 52584-47-1, has the systematic name of sodium 2,5-dichloro-4-{4-[(E)-(4-dodecylphenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonate. This chemical will turn to dark red when meets with copper ion and became darken when meets with chromium ions.
The characteristics of this chemical are as below: (1)ACD/LogP: 8.15; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 4.65; (4)ACD/LogD (pH 7.4): 4.65; (5)ACD/BCF (pH 5.5): 288.96; (6)ACD/BCF (pH 7.4): 288.83; (7)ACD/KOC (pH 5.5): 203.42; (8)ACD/KOC (pH 7.4): 203.33; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 120.14; (13)Tautomer Count: 10; (14)Exact Mass: 616.165376; (15)MonoIsotopic Mass: 616.165376; (16)Topological Polar Surface Area: 123; (17)Heavy Atom Count: 40; (18)Complexity: 941.
The production way is as below: Diazotize the Dodecylaniline, and then couple with 1-(2',-5'-dichlorine-4'-sulfonateylphenyl)-3-methyl-5-pyrazolone to get this chemical.
As to its usage, it is widely used in many ways. It could be used in the printing of wool, silk and nylon, and also in dyeing in tussah silk. Then it could be applied in coating of paper.
The following datas could be converted into the molecular structure:
(1)SMILES: [Na+].[O-]S(=O)(=O)c3cc(Cl)c(N2/N=C(\C(/N=N/c1ccc(cc1)CCCCCCCCCCCC)C2=O)C) cc3ClCopyCopied
(2)InChI: InChI=1/C28H36Cl2N4O4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-21-14-16-22(17-15-21)31-32-27-20(2)33-34(28(27)35)25-18-24(30)26(19-23(25)29)39(36,37)38;/h14-19,27H,3-13H2,1-2H3,(H,36,37,38);/q;+1/p-1/b32-31+; CopyCopied
(3)InChIKey: KLJZTSSCSBOTLK-NADFWRRNBZ
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