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72102-84-2

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Basic Information
CAS No.: 72102-84-2
Name: 5-[(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo]barbituric acid
Molecular Structure:
Molecular Structure of 72102-84-2 (5-[(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo]barbituric acid)
Formula: C12H10N6O4
Molecular Weight: 302.25
Synonyms: 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-[(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo]- (9CI);5-((2,3-Dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo)-6-hydroxy-2,4(1H,3H)-pyrimidinedione;C.I. Pigment Orange 64;Cromophtal Orange GL;Cromophtal Orange GP;2,4,6(1H,3H,5H)-Pyrimidinetrione,5-[2-(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)diazenyl]-;5-((2,3-Dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo)barbituricacid;
EINECS: 276-344-2
Density: 1.92 g/cm3
PSA: 148.64000
LogP: 0.64050
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Chemistry


IUPAC Name: 5-[2-(6-Methyl-2-oxobenzimidazol-5-yl)hydrazinyl]-1,3-diazinane-2,4,6-trione
Molecular Formula: C12H10N6O4
Molecular Weight: 302.25 g/mol
Canonical SMILES: C1(NC(C(C(N1)=O)\N=N\c1cc2[nH]c([nH]c2cc1C)=O)=O)=O
InChI: InChI=1/C12H10N6O4/c1-4-2-6-7(14-11(21)13-6)3-5(4)17-18-8-9(19)15-12(22)16-10(8)20/h2-3,8H,1H3,(H2,13,14,21)(H2,15,16,19,20,22)/b18-17+
EINECS: 276-344-2
Product Categories: Organics
XLogP3-AA: -1.5
H-Bond Donor: 4
H-Bond Acceptor: 6
Index of Refraction: 1.878
Molar Refractivity: 71.74 cm3
Molar Volume: 156.8 cm3
Polarizability: 28.44×10-24 cm3
Surface Tension: 93 dyne/cm
Density of Pigment Orange 64 (CAS NO.72102-84-2): 1.92 g/cm3

Specification

 Pigment Orange 64 (CAS NO.72102-84-2), its Synonyms are 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo)- ; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)diazenyl)- ; 5-((2,3-Dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo)barbituricacid ; 5-((2,3-Dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo)-6-hydroxy-2,4(1H,3H)-pyrimidinedione ; 5-(6-Methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-ylazo)-1,2,3,4,5,6-hexahydropyrimidine-2,4,6-trione ; 5-(6-Methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-ylazo)hexahydropyrimidine-2,4,6-trione .