6271-79-0

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6271-79-0 Structure

Identification	Back Directory
[Name] 3,3'-DINITROBENZIDINE
[CAS] 6271-79-0
[Synonyms] Ccris 6584 Brn 2817867 3,3'-Dinitro- Einecs 228-457-3 Dinitrobenzidine 3,3'-DINITROBENZIDINE 3,3’-dinitro-benzidin Benzidine, 3,3'-dinitro- 4,4'-DIAMINO-3,3'-DINITROBIPHENYL 3,3'-DINITRO-BIPHENYL-4,4'-DIAMINE 1’-biphenyl)-4,4’-diamine,3,3’-dinitro-( 3,3'-dinitro[1,1'-biphenyl]-4,4'-diamine 4-(4-AMINO-3-NITRO-PHENYL)-2-NITRO-ANILINE (1,1'-Biphenyl)-4,4'-diamine, 3,3'-dinitro- (9ci)
[EINECS(EC#)] 228-457-3
[Molecular Formula] C12H10N4O4
[MDL Number] MFCD00024264
[MOL File] 6271-79-0.mol
[Molecular Weight] 274.23

Chemical Properties	Back Directory
[Appearance] Brown Oily Solid
[Melting point ] 275°C
[Boiling point ] 497.4±45.0 °C(Predicted)
[density ] 1.498±0.06 g/cm3(Predicted)
[storage temp. ] Refrigerator
[solubility ] Acetone, DMSO
[form ] Solid
[pka] -0.54±0.10(Predicted)
[color ] Red
[InChI] InChI=1S/C12H10N4O4/c13-9-3-1-7(5-11(9)15(17)18)8-2-4-10(14)12(6-8)16(19)20/h1-6H,13-14H2
[InChIKey] OCEINMLGYDSKFW-UHFFFAOYSA-N
[SMILES] C1(C2=CC=C(N)C([N+]([O-])=O)=C2)=CC=C(N)C([N+]([O-])=O)=C1
[CAS DataBase Reference] 6271-79-0

Hazard Information	Back Directory
[Chemical Properties] Brown Oily Solid
[Uses] Used for preparation of symmetrical bis-benzimidazole derivatives for inhibition of gastric acid secretion.
[Purification Methods] Crystallise the pKEst biphenyl from aqueous EtOH or pyridine/EtOH. [Beilstein 13 H 236, 13 I 68, 13 II 108, 13 III 415, 13 IV 387.]

Spectrum Detail	Back Directory
[Spectrum Detail] 3,3'-DINITROBENZIDINE(6271-79-0)¹HNMR 3,3'-DINITROBENZIDINE(6271-79-0)¹³CNMR 3,3'-DINITROBENZIDINE(6271-79-0)IR1

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