1.0 2010-04-08 22:09:38 UTC 2015-07-20 22:40:23 UTC FDB011426 C.I. Food Black 2 Black food dye; no longer permitted in the EU and not FDA approved 6-Amino-4-hydroxy-3-[(7-sulfo-4-[(4-sulfophenyl)azo]-1-naphthalenyl)azo]-2,7-naphthalenedisulfonic acid, 9CI Black 7984 C.I. 27755 C.I. 27775 E 152 Food Black 2 C26H19N5O13S4 737.715 736.986218479 6-amino-4-hydroxy-3-[(E)-2-{7-sulfo-4-[(E)-2-(4-sulfophenyl)diazen-1-yl]naphthalen-1-yl}diazen-1-yl]naphthalene-2,7-disulfonic acid 6-amino-4-hydroxy-3-[(E)-2-{7-sulfo-4-[(E)-2-(4-sulfophenyl)diazen-1-yl]naphthalen-1-yl}diazen-1-yl]naphthalene-2,7-disulfonic acid 25738-38-9 NC1=C(C=C2C=C(C(\N=N\C3=CC=C(\N=N\C4=CC=C(C=C4)S(O)(=O)=O)C4=C3C=C(C=C4)S(O)(=O)=O)=C(O)C2=C1)S(O)(=O)=O)S(O)(=O)=O InChI=1S/C26H19N5O13S4/c27-20-12-18-13(9-23(20)47(39,40)41)10-24(48(42,43)44)25(26(18)32)31-30-22-8-7-21(17-6-5-16(11-19(17)22)46(36,37)38)29-28-14-1-3-15(4-2-14)45(33,34)35/h1-12,32H,27H2,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)/b29-28+,31-30+ DUUHLAZWLLCPSP-DUJDKOHPSA-N belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. 2-naphthalene sulfonates Organic compounds Benzenoids Naphthalenes Naphthalene sulfonic acids and derivatives Aromatic homopolycyclic compounds 1-hydroxy-4-unsubstituted benzenoids 1-sulfo,2-unsubstituted aromatic compounds 2-naphthalene sulfonic acids and derivatives Azo compounds Benzenesulfonic acids and derivatives Benzenesulfonyl compounds Hydrocarbon derivatives Naphthols and derivatives Organic oxides Organooxygen compounds Organopnictogen compounds Organosulfonic acids Primary amines Propargyl-type 1,3-dipolar organic compounds Sulfonyls 1-hydroxy-4-unsubstituted benzenoid 1-naphthol 1-sulfo,2-unsubstituted aromatic compound 2-naphthalene sulfonate 2-naphthalene sulfonic acid or derivatives Amine Aromatic homopolycyclic compound Arylsulfonic acid or derivatives Azo compound Benzenesulfonate Benzenesulfonyl group Hydrocarbon derivative Monocyclic benzene moiety Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Primary amine Propargyl-type 1,3-dipolar organic compound Sulfonyl logp -0.75 ALOGPS logs -4.61 ALOGPS solubility 1.80e-02 g/l ALOGPS logp -2.2 ChemAxon pka_strongest_acidic -4.8 ChemAxon pka_strongest_basic 1.66 ChemAxon iupac 6-amino-4-hydroxy-3-[(E)-2-{7-sulfo-4-[(E)-2-(4-sulfophenyl)diazen-1-yl]naphthalen-1-yl}diazen-1-yl]naphthalene-2,7-disulfonic acid ChemAxon average_mass 737.715 ChemAxon mono_mass 736.986218479 ChemAxon smiles NC1=C(C=C2C=C(C(\N=N\C3=CC=C(\N=N\C4=CC=C(C=C4)S(O)(=O)=O)C4=C3C=C(C=C4)S(O)(=O)=O)=C(O)C2=C1)S(O)(=O)=O)S(O)(=O)=O ChemAxon formula C26H19N5O13S4 ChemAxon inchi InChI=1S/C26H19N5O13S4/c27-20-12-18-13(9-23(20)47(39,40)41)10-24(48(42,43)44)25(26(18)32)31-30-22-8-7-21(17-6-5-16(11-19(17)22)46(36,37)38)29-28-14-1-3-15(4-2-14)45(33,34)35/h1-12,32H,27H2,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)/b29-28+,31-30+ ChemAxon inchikey DUUHLAZWLLCPSP-DUJDKOHPSA-N ChemAxon polar_surface_area 313.17 ChemAxon refractivity 176.77 ChemAxon polarizability 69.79 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 18 ChemAxon donor_count 6 ChemAxon physiological_charge -4 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 73471 Specdb::CMs 767729 Specdb::CMs 767730 Specdb::CMs 767731 Specdb::CMs 767732 Specdb::CMs 767733 Specdb::CMs 767734 Specdb::CMs 767735 Specdb::CMs 767736 Specdb::CMs 767737 Specdb::CMs 767738 Specdb::CMs 767739 Specdb::CMs 767740 Specdb::NmrOneD 119638 Specdb::NmrOneD 119639 Specdb::NmrOneD 119640 Specdb::NmrOneD 119641 Specdb::NmrOneD 119642 Specdb::NmrOneD 119643 Specdb::NmrOneD 119644 Specdb::NmrOneD 119645 Specdb::NmrOneD 119646 Specdb::NmrOneD 119647 Specdb::NmrOneD 119648 Specdb::NmrOneD 119649 Specdb::NmrOneD 119650 Specdb::NmrOneD 119651 Specdb::NmrOneD 119652 Specdb::NmrOneD 119653 Specdb::NmrOneD 119654 Specdb::NmrOneD 119655 Specdb::NmrOneD 119656 Specdb::NmrOneD 119657 Specdb::MsMs 60930 Specdb::MsMs 60931 Specdb::MsMs 60932 Specdb::MsMs 117372 Specdb::MsMs 117373 Specdb::MsMs 117374 Specdb::MsMs 2668462 Specdb::MsMs 2668463 Specdb::MsMs 2668464 Specdb::MsMs 3013439 Specdb::MsMs 3013440 Specdb::MsMs 3013441 HMDB33393 #<Reference:0x000055ce31fb3470>