1.0 2016-05-22 04:47:48 UTC 2026-08-22 07:59:15 UTC D&C Blue No. 9 SmallMolecule D&C Blue No. 9 is an organic compound with the chemical formula C28H12Cl2N2O4. D&C Blue No. 9 belongs to the benzodiazines, a subclass of diazanaphthalenes within the organic compounds. With an average molecular weight of 511.31 g/mol, D&C Blue No. 9 is a heavy molecule. This substance is utilized as an industrial dye. It is identified in five recorded sources across various sectors. In the context of electrical and electronic equipment, it is found in antennas and electrodes. Within household cleaning and consumer products, it is associated with soap detergents and bleaching agents. Additionally, it is found in sources related to food, food processing and cookware, specifically in food preservation. 15,30-dichloro-2,17-diazaheptacyclo[16.12.0.0³,¹⁶.0⁴,¹³.0⁶,¹¹.0¹⁹,²⁸.0²¹,²⁶]triaconta-1(30),3,6(11),7,9,13,15,18,21(26),22,24,28-dodecaene-5,12,20,27-tetrone C28H12Cl2N2O4 511.31 510.0174123 15,30-dichloro-2,17-diazaheptacyclo[16.12.0.0³,¹⁶.0⁴,¹³.0⁶,¹¹.0¹⁹,²⁸.0²¹,²⁶]triaconta-1(30),3,6,8,10,13,15,18,21,23,25,28-dodecaene-5,12,20,27-tetrone C.I. vat blue 6 130-20-1 ClC1=C2NC3=C4C(=O)C5=CC=CC=C5C(=O)C4=CC(Cl)=C3NC2=C2C(=O)C3=CC=CC=C3C(=O)C2=C1 InChI=1S/C28H12Cl2N2O4/c29-17-9-15-19(27(35)13-7-3-1-5-11(13)25(15)33)23-21(17)32-24-20-16(10-18(30)22(24)31-23)26(34)12-6-2-4-8-14(12)28(20)36/h1-10,31-32H UGCDBQWJXSAYIL-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Diazanaphthalenes Benzodiazines Phenazines and derivatives Anthracenes Aryl chlorides Azacyclic compounds Chloronaphthalenes Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Pyrazines Vinylogous amides Anthracene Aromatic heteropolycyclic compound Aryl chloride Aryl halide Azacycle Benzenoid Chloronaphthalene Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenazine Pyrazine Vinylogous amide Aromatic heteropolycyclic compounds Detected and Not Quantified logp 6.1 logp 6.35 ALOGPS logs -6.15 ALOGPS solubility 3.62e-04 g/l ALOGPS logp 8.58 ChemAxon pka_strongest_acidic 11.98 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 15,30-dichloro-2,17-diazaheptacyclo[16.12.0.0³,¹⁶.0⁴,¹³.0⁶,¹¹.0¹⁹,²⁸.0²¹,²⁶]triaconta-1(30),3,6,8,10,13,15,18,21,23,25,28-dodecaene-5,12,20,27-tetrone ChemAxon average_mass 511.31 ChemAxon mono_mass 510.0174123 ChemAxon smiles ClC1=C2NC3=C4C(=O)C5=CC=CC=C5C(=O)C4=CC(Cl)=C3NC2=C2C(=O)C3=CC=CC=C3C(=O)C2=C1 ChemAxon formula C28H12Cl2N2O4 ChemAxon inchi InChI=1S/C28H12Cl2N2O4/c29-17-9-15-19(27(35)13-7-3-1-5-11(13)25(15)33)23-21(17)32-24-20-16(10-18(30)22(24)31-23)26(34)12-6-2-4-8-14(12)28(20)36/h1-10,31-32H ChemAxon inchikey UGCDBQWJXSAYIL-UHFFFAOYSA-N ChemAxon polar_surface_area 92.34 ChemAxon refractivity 136.77 ChemAxon polarizability 51.56 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f726ebe5338> 8532 8216