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CAS No.: | 13011-62-6 |
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Name: | Solvent Orange 45 |
Molecular Structure: | |
Formula: | C32H24CoN8O10.H |
Molecular Weight: | 740.52 |
Synonyms: | Cobaltate(1-),bis[2-[(2-hydroxy-5-nitrophenyl)azo]-3-oxo-N-phenylbutanamidato(2-)]-,hydrogen;Cobaltate(1-), bis[2-[[2-(hydroxy-kO)-5-nitrophenyl]azo-kN1]-3-(oxo-kO)-N-phenylbutanamidato(2-)]-, hydrogen (9CI);Hydrogen bis[2,3-dioxobutyranilide 2-[(2-hydroxy-5-nitrophenyl)hydrazonato(2-)]]cobaltate(III)(7CI);Butanamide, 2-[(2-hydroxy-5-nitrophenyl)azo]-3-oxo-N-phenyl-, cobaltcomplex;2-[(2-Hydroxy-5-nitrophenyl)azo]-3-oxo-N-phenylbutanamide cobaltcomplex (2:1);C.I. Solvent Orange 45;Hydrogenbis[2-[(2-hydroxy-5-nitrophenyl)azo]acetoacetanilidato(2-)]cobaltate(III);Vali Fast Yellow 3108; |
EINECS: | 235-861-3 |
Boiling Point: | 554.3 °C at 760 mmHg |
Flash Point: | 289.1 °C |
PSA: | 256.30000 |
LogP: | 6.72480 |
The CAS register number of Solvent Orange 45 is 13011-62-6. It also can be called as Hydrogen bis[2,3-dioxobutyranilide 2-[(2-hydroxy-5-nitrophenyl)hydrazonato(2-)]]cobaltate(III) and the IUPAC name about this chemical is cobalt(3+); hydron; (2E)-2-[(5-nitro-2-oxidophenyl)hydrazinylidene]-3-oxo-N-phenylbutanimidate. The molecular formula about this chemical is C32H24CoN8O10.H and the molecular weight is 740.53. It belongs to the Solvent Dyestuff.
Physical properties about Solvent Orange 45 are: (1)ACD/LogP: 3.44; (2)#H bond acceptors: 9; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 131.31Å2; (6)Flash Point: 289.1 °C; (7)Enthalpy of Vaporization: 87.9 kJ/mol; (8)Boiling Point: 554.3 °C at 760 mmHg; (9)Vapour Pressure: 4.01E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [H+].[Co+3].[O-]c2ccc(cc2N\N=C(C(\[O-])=N\c1ccccc1)C(=O)C)[N+]([O-])=O.[O-]/C(=N\c1ccccc1)/C(=N\Nc2cc([N+]([O-])=O)ccc2[O-])C(=O)C
(2)InChI: InChI=1/2C16H14N4O5.Co/c2*1-10(21)15(16(23)17-11-5-3-2-4-6-11)19-18-13-9-12(20(24)25)7-8-14(13)22;/h2*2-9,18,22H,1H3,(H,17,23);/q;;+3/p-3/b2*19-15-;
(3)InChIKey: CYRLMLWTEBZQKS-LULAZDCVBF
(4)Std. InChI: InChI=1S/2C16H14N4O5.Co/c2*1-10(21)15(16(23)17-11-5-3-2-4-6-11)19-18-13-9-12(20(24)25)7-8-14(13)22;/h2*2-9,18,22H,1H3,(H,17,23);/q;;+3/p-3/b2*19-15-;
(5)Std. InChIKey: CYRLMLWTEBZQKS-JECNCDHVSA-K