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Name	Solvent Yellow 21	EINECS	227-022-5
CAS No.	5601-29-6	Density	1.24g/cm3
PSA	175.59000	LogP	7.04430
Solubility	170.1mg/L at 20℃	Melting Point	N/A
Formula	C₃₄H₂₄CrN₈O₆^.H	Boiling Point	461.9 °C at 760 mmHg
Molecular Weight	693.62	Flash Point	233.1 °C
Transport Information	N/A	Appearance	powder
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Chromate(1-),bis[2-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoato(2-)]-,hydrogen;Chromate(1-), bis[2-[[4,5-dihydro-3-methyl-5-(oxo-kO)-1-phenyl-1H-pyrazol-4-yl]azo-kN1]benzoato(2-)-kO]-, hydrogen (9CI);Acid Yellow 118;Acid Yellow 129;Acid Yellow 161;Acid Yellow 171;Acid Yellow 2GLN;Acid Yellow 59;AmichromeLight Yellow 2RL;C.I. Acid Yellow 171;C.I.Acid Yellow 59;C.I. Solvent Yellow 21;Eukesolar Yellow GL;Fenaplex YellowNR;Filamid Yellow R;Isolan YellowGLS;Kayakalan Yellow GL;Lanasyn Yellow 2GW;Lanyl Yellow GG;Lanyl Yellow GS;Neutralan Yellow G;Neutrichrome Yellow JRL;Neutrilan Yellow S-GR;Oleosol Fast Yellow 2G;OleosolYellow 2G;Orasol Yellow GRLN;Ortolan Yellow G;Relon Yellow 7R;Remalan Fast Yellow G;Solcorom Yellow P;Stenolana Yellow MR;Supralan Yellow NR;Taigalan Yellow 2GL;Tirasol Yellow;Trialan Yellow GLN;Vali Fast Yellow 3105;Valiosol Yellow 4120T;Vialon Fast Yellow GL;Vicoacid Yellow 59;Yellow J 12;ZaponFast Yellow R;Chromate(1-),bis[2-[2-[4,5-dihydro-3-methyl-5-(oxo-kO)-1-phenyl-1H-pyrazol-4-yl]diazenyl-kN1]benzoato(2-)-kO]-, hydrogen (1:1);

Solvent Yellow 21 Specification

The Solvent Yellow 21 belongs to the categories of Dyes and Pigments; Organometallics; Solvent Dyestuff. It is also known as Acid Yellow 59; Acid Yellow 161; Acid Yellow 118; Hydrogen bis[2-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoato]chromate. Its cas registry number is 5601-29-6. It also has other registry numbers which are (1)12220-52-9; (2)12220-77-8; (3)12220-85-8; (4)12220-90-5; (5)12235-24-4; (6)12270-05-2; (7)155067-80-4; (8)15977-59-0; (9)28084-27-7; (10)29991-00-2; (11)41579-63-9; (12)47872-95-7; (13)47872-97-9; (14)57486-05-2; (15)59459-52-8; (16)95409-74-8. The EINECS registry number is 227-022-5. Its IUPAC name is called chromium(3+); hydron; [(6E)-6-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]methanediolate. Its systematic name is called chromium(3+) hydrogen {(6E)-6-[(2Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene}methanediolate (1:1:2).

Physical properties about this chemical are: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4) #H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 97.85 Å²; (7)Flash Point: 233.1 °C; (8)Enthalpy of Vaporization: 76.16 kJ/mol; (9)Boiling Point: 461.9 °C at 760 mmHg; (10)Vapour Pressure: 2.5E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [H+].[Cr+3].[O-]/C([O-])=C3/C=C\C=C/C3=N\N=C2\C(=N/N(c1ccccc1)C2=O)C.[O-]/C([O-])=C3/C=C\C=C/C3=N\N=C2\C(=N/N(c1ccccc1)C2=O)C;
(2)InChI: InChI=1/2C17H14N4O3.Cr/c2*1-11-15(16(22)21(20-11)12-7-3-2-4-8-12)19-18-14-10-6-5-9-13(14)17(23)24;/h2*2-10,23-24H,1H3;/q;;+3/p-3/b2*18-14+,19-15-;
(3)InChIKey: IWMMUMZQFNYZFV-YQZOMNKABY

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