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52256-37-8

Basic Information
CAS No.: 52256-37-8
Name: Chromate(1-),bis[2,4-dihydro-4-[2-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl-kN1]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kO3]-, hydrogen (1:1)
Molecular Structure:
Molecular Structure of 52256-37-8 (Chromate(1-),bis[2,4-dihydro-4-[2-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl-kN1]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kO3]-, hydrogen (1:1))
Formula: C32H22CrN10O8.H
Molecular Weight: 727.59
Synonyms: Chromate(1-),bis[2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)]-,hydrogen;Chromate(1-), bis[2,4-dihydro-4-[[2-(hydroxy-kO)-5-nitrophenyl]azo-kN1]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kO3]-, hydrogen (9CI);Hydrogenbis[4-[(2-hydroxy-5-nitrophenyl)azo]-3-methyl-1-phenyl-2-pyrazolin-5-onato(2-)]chromate(III)(7CI);Amichrome Light Orange RL;C.I. 12714;C.I. Acid Orange 92;C.I.Solvent Orange 62;Lampronol Light Orange R;Neutrichrome Orange RL;SavinylOrange RLSE;Solcorom Orange P;Solvent Orange 2A;
EINECS: 257-789-1
Density:
Melting Point:
Boiling Point: 529.4 °C at 760 mmHg
Flash Point: 274 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 224.88000
LogP: 6.83680
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Specification

The CAS register number of Solvent Orange 62 is 52256-37-8. It also can be called as 2,4-Dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-one chromium complex and the IUPAC name about this chemical is chromium(3+); 4-[[3-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-5-methyl-2-phenylpyrazol-3-one; hydron; 5-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-2-phenylpyrazol-3-olate. The molecular formula about this chemical is C32H22CrN10O8.H and the molecular weight is 727.59. It belongs to the Solvent Dyestuff.

Physical properties about Solvent Orange 62 are: (1)ACD/LogP: -0.12; (2)ACD/LogD (pH 5.5): -0.16; (3)ACD/LogD (pH 7.4): -1.04; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 18.72; (7)ACD/KOC (pH 7.4): 2.5; (8)#H bond acceptors: 9; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 118.16Å2; (12)Flash Point: 274 °C; (13)Enthalpy of Vaporization: 84.68 kJ/mol; (14)Boiling Point: 529.4 °C at 760 mmHg; (15)Vapour Pressure: 4.88E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [H+].[Cr+3].[O-][N+](=O)/C3=C/C(=N[N-]\C2=C(\[N-]N(c1ccccc1)C2=O)C)C(=O)/C=C3.[O-]N([O-])/C3=C/C(=NN=C2\C(=N/N(c1ccccc1)C2=O)C)C(=O)/C=C3
(2)InChI: InChI=1/C16H13N5O4.C16H11N5O4.Cr/c2*1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(21(24)25)7-8-14(13)22;/h2-9H,1H3,(H2,17,18,19,22,23);2-9H,1H3;/q;-2;+3/p-1
(3)InChIKey: PFOKBGCBNGEEDJ-REWHXWOFAM
(4)Std. InChI: InChI=1S/C16H13N5O4.C16H11N5O4.Cr/c2*1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(21(24)25)7-8-14(13)22;/h2-9H,1H3,(H2,17,18,19,22,23);2-9H,1H3;/q;-2;+3/p-1
(5)Std. InChIKey: PFOKBGCBNGEEDJ-UHFFFAOYSA-M